N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-3-methyl-5-(trifluoromethyl)benzamide

C21H20ClF3N2O2 — CID 70808429

IUPACN-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-3-methyl-5-(trifluoromethyl)benzamide
SMILESCc1cc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C21H20ClF3N2O2/c1-12-9-13(11-14(10-12)21(23,24)25)19(28)27-18-4-2-3-17(18)20(29)26-16-7-5-15(22)6-8-16/h5-11,17-18H,2-4H2,1H3,(H,26,29)(H,27,28)/t17-,18+/m0/s1
InChIKeyHOSHRWWBANLLDK-ZWKOTPCHSA-N
MW424.85 g/mol
LogP5.20
Rot. Bonds4

About N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-3-methyl-5-(trifluoromethyl)benzamide

N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-3-methyl-5-(trifluoromethyl)benzamide (PubChem CID 70808429) has the molecular formula C21H20ClF3N2O2 and a molecular weight of 424.85 g/mol. Its IUPAC name is N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-3-methyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-3-methyl-5-(trifluoromethyl)benzamide
PubChem CID70808429
Molecular FormulaC21H20ClF3N2O2
Molecular Weight424.85 g/mol
Exact Mass424.12
IUPAC NameN-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-3-methyl-5-(trifluoromethyl)benzamide
SMILESCc1cc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc(C(F)(F)F)c1
InChIInChI=1S/C21H20ClF3N2O2/c1-12-9-13(11-14(10-12)21(23,24)25)19(28)27-18-4-2-3-17(18)20(29)26-16-7-5-15(22)6-8-16/h5-11,17-18H,2-4H2,1H3,(H,26,29)(H,27,28)/t17-,18+/m0/s1
InChIKeyHOSHRWWBANLLDK-ZWKOTPCHSA-N
XLogP5.20
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.85
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R)-2-[[3,5-bis(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]-3,5-dimethylbenzamide
CID 101341361
3-acetamido-N-[2-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)benzamide
CID 119602942
trans-(1R,2R)-2-(4-chlorophenyl)-N-[4-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 843468
N-[2-[[(1S,2R)-2-[(4-chlorobenzoyl)amino]cyclopentyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 10139931
4-(cyclopropanecarbonylamino)-N-[2-(trifluoromethyl)cyclohexyl]benzamide
CID 55534252
N-(2-aminocyclohexyl)-3-chloro-5-methylbenzamide
CID 81323198
3-chloro-N-(2-cyanocyclopentyl)-5-methylbenzamide
CID 81002663
N-[3-(4-chloroanilino)-3-oxopropyl]-3-methyl-5-(trifluoromethyl)benzamide;N'-(4-chlorophenyl)-N-[[3-methyl-5-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine
CID 161032958
1-(4-chlorobenzoyl)-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 7961983
2-N-(4-chlorophenyl)-1-N-(4-methylphenyl)cyclohex-4-ene-1,2-dicarboxamide
CID 18873752
3-[[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-methylsulfonylamino]-N-(2-hydroxycyclopentyl)-5-(trifluoromethyl)benzamide
CID 68630955
N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
CID 4842174

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-3-methyl-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-3-methyl-5-(trifluoromethyl)benzamide (CID 70808429) is N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-3-methyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-3-methyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-3-methyl-5-(trifluoromethyl)benzamide is Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)Nc2ccc(Cl)cc2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-3-methyl-5-(trifluoromethyl)benzamide?
The InChIKey is HOSHRWWBANLLDK-ZWKOTPCHSA-N. The full InChI is InChI=1S/C21H20ClF3N2O2/c1-12-9-13(11-14(10-12)21(23,24)25)19(28)27-18-4-2-3-17(18)20(29)26-16-7-5-15(22)6-8-16/h5-11,17-18H,2-4H2,1H3,(H,26,29)(H,27,28)/t17-,18+/m0/s1.
What are the key properties of N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-3-methyl-5-(trifluoromethyl)benzamide?
N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-3-methyl-5-(trifluoromethyl)benzamide has a molecular weight of 424.85 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-[(4-chlorophenyl)carbamoyl]cyclopentyl]-3-methyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 70808429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).