(4S)-4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide

C16H14ClF4N3O — CID 146309492

IUPAC(4S)-4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide
SMILESCn1c(C(=O)Nc2ccc(F)c(Cl)c2)c2c(c1C(F)(F)F)[C@@H](N)CC2
InChIInChI=1S/C16H14ClF4N3O/c1-24-13(15(25)23-7-2-4-10(18)9(17)6-7)8-3-5-11(22)12(8)14(24)16(19,20)21/h2,4,6,11H,3,5,22H2,1H3,(H,23,25)/t11-/m0/s1
InChIKeyBSEUHBUDIGNVPJ-NSHDSACASA-N
MW375.75 g/mol
LogP4.03
Rot. Bonds2

About (4S)-4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide

(4S)-4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide (PubChem CID 146309492) has the molecular formula C16H14ClF4N3O and a molecular weight of 375.75 g/mol. Its IUPAC name is (4S)-4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide.

Molecular Properties

Compound Name(4S)-4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide
PubChem CID146309492
Molecular FormulaC16H14ClF4N3O
Molecular Weight375.75 g/mol
Exact Mass375.08
IUPAC Name(4S)-4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide
SMILESCn1c(C(=O)Nc2ccc(F)c(Cl)c2)c2c(c1C(F)(F)F)[C@@H](N)CC2
InChIInChI=1S/C16H14ClF4N3O/c1-24-13(15(25)23-7-2-4-10(18)9(17)6-7)8-3-5-11(22)12(8)14(24)16(19,20)21/h2,4,6,11H,3,5,22H2,1H3,(H,23,25)/t11-/m0/s1
InChIKeyBSEUHBUDIGNVPJ-NSHDSACASA-N
XLogP4.03
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.75
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide;methane;(1-methyl-1,2,4-triazol-3-yl)methyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(1-methyl-1,2,4-triazol-3-yl)methyl imidazole-1-carboxylate
CID 159775094
4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide;methane;2H-triazol-4-ylmethyl N-[1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]carbamate;(2-trityltriazol-4-yl)methyl imidazole-1-carboxylate
CID 159423211
N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)benzamide
CID 2083480
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528
2H-triazol-4-yl N-[3-chloro-1-[(3-chloro-4-fluorophenyl)carbamoyl]-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrrol-4-yl]-N-methylcarbamate
CID 156698751
N-(3-chloro-4-fluorophenyl)-1,5-dimethyl-3-(5-oxo-2,3,3a,4,6,6a-hexahydro-1H-pentalen-2-yl)pyrrole-2-carboxamide
CID 156897898
4-amino-N-(3-chloro-4-fluorophenyl)-3,5-difluorobenzamide
CID 63187581
(1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-7-fluoro-1-[3-(1-methylpyrazol-3-yl)propanoylamino]-2,3-dihydro-1H-indene-4-carboxamide;3-(1-methylpyrazol-3-yl)propanoic acid;hydrochloride
CID 161211320
3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 26166664
(1S)-1-amino-N-(3-chloro-4-fluorophenyl)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;(1S)-N-(3-chloro-4-fluorophenyl)-1-(cyclohexylsulfonylamino)-7-fluoro-2,3-dihydro-1H-indene-4-carboxamide;cyclohexanesulfonyl chloride
CID 158330252
5-chloro-N-(3-chloro-4-fluorophenyl)-3-(5-hydroxy-1,2,3,3a,4,5,6,6a-octahydropentalen-2-yl)-1-methylpyrrole-2-carboxamide
CID 156897943
[4-[(3-chloro-4-fluorophenyl)carbamoyl]-7-fluoro-2,3-dihydro-1H-inden-1-yl]carbamic acid;hydrochloride
CID 170305189

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide?
The IUPAC name of (4S)-4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide (CID 146309492) is (4S)-4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide.
What is the SMILES notation for (4S)-4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide?
The canonical SMILES for (4S)-4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide is Cn1c(C(=O)Nc2ccc(F)c(Cl)c2)c2c(c1C(F)(F)F)[C@@H](N)CC2.
What is the InChIKey of (4S)-4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide?
The InChIKey is BSEUHBUDIGNVPJ-NSHDSACASA-N. The full InChI is InChI=1S/C16H14ClF4N3O/c1-24-13(15(25)23-7-2-4-10(18)9(17)6-7)8-3-5-11(22)12(8)14(24)16(19,20)21/h2,4,6,11H,3,5,22H2,1H3,(H,23,25)/t11-/m0/s1.
What are the key properties of (4S)-4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide?
(4S)-4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide has a molecular weight of 375.75 g/mol, XLogP of 4.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-N-(3-chloro-4-fluorophenyl)-2-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrrole-1-carboxamide is sourced from PubChem (CID 146309492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).