carbonic acid;(2S)-2-(4-chloro-2-fluorophenyl)-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide

C24H27ClFNO4 — CID 118091048

IUPACcarbonic acid;(2S)-2-(4-chloro-2-fluorophenyl)-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide
SMILESO=C(Nc1cccc(CC2CC2)c1)[C@H](c1ccc(Cl)cc1F)C1CCCC1.O=C(O)O
InChIInChI=1S/C23H25ClFNO.CH2O3/c24-18-10-11-20(21(25)14-18)22(17-5-1-2-6-17)23(27)26-19-7-3-4-16(13-19)12-15-8-9-15;2-1(3)4/h3-4,7,10-11,13-15,17,22H,1-2,5-6,8-9,12H2,(H,26,27);(H2,2,3,4)/t22-;/m0./s1
InChIKeyIVNLCIBEFZLDFF-FTBISJDPSA-N
MW447.93 g/mol
LogP6.57
Rot. Bonds6

About carbonic acid;(2S)-2-(4-chloro-2-fluorophenyl)-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide

carbonic acid;(2S)-2-(4-chloro-2-fluorophenyl)-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide (PubChem CID 118091048) has the molecular formula C24H27ClFNO4 and a molecular weight of 447.93 g/mol. Its IUPAC name is carbonic acid;(2S)-2-(4-chloro-2-fluorophenyl)-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide.

Molecular Properties

Compound Namecarbonic acid;(2S)-2-(4-chloro-2-fluorophenyl)-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide
PubChem CID118091048
Molecular FormulaC24H27ClFNO4
Molecular Weight447.93 g/mol
Exact Mass447.16
IUPAC Namecarbonic acid;(2S)-2-(4-chloro-2-fluorophenyl)-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide
SMILESO=C(Nc1cccc(CC2CC2)c1)[C@H](c1ccc(Cl)cc1F)C1CCCC1.O=C(O)O
InChIInChI=1S/C23H25ClFNO.CH2O3/c24-18-10-11-20(21(25)14-18)22(17-5-1-2-6-17)23(27)26-19-7-3-4-16(13-19)12-15-8-9-15;2-1(3)4/h3-4,7,10-11,13-15,17,22H,1-2,5-6,8-9,12H2,(H,26,27);(H2,2,3,4)/t22-;/m0./s1
InChIKeyIVNLCIBEFZLDFF-FTBISJDPSA-N
XLogP6.57
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.93
LogP ≤ 56.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

carbonic acid;2-[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide
CID 68752735
(2S)-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 118091164
2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 118091125
[3-[[2-(4-chlorophenyl)-2-cyclopentylacetyl]amino]phenyl]methyl cyclopropanecarboxylate
CID 174698422
2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]-2-[4-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]phenyl]acetamide
CID 68751327
2-cyclopentyl-3-oxo-3-[3-(sulfamoylmethyl)anilino]propanoic acid
CID 138033236
1-[[3-[[(2S)-2-cyclopentyl-2-[4-(trifluoromethyl)phenyl]acetyl]amino]phenyl]methyl]cyclopropane-1-carboxylic acid
CID 57344330
2-cyclopentyl-N,2-diphenylacetamide
CID 2794045
1-chloro-3-(cyclopentylmethyl)benzene;cyclohexylurea
CID 170579151
2-acetamido-2-cyclopentyl-N-(3-ethylphenyl)acetamide
CID 51272125
carbonic acid;N-[3-(cyclopropylmethyl)phenyl]-4,4,4-trifluoro-3-methyl-2-[4-(trifluoromethoxy)phenyl]butanamide
CID 118091065
(2S)-2-[4-[(E)-2-cyanoethenyl]phenyl]-2-cyclopentyl-N-[5-(cyclopropylmethyl)-2-fluorophenyl]acetamide
CID 118091167

Frequently Asked Questions

What is the IUPAC name of carbonic acid;(2S)-2-(4-chloro-2-fluorophenyl)-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide?
The IUPAC name of carbonic acid;(2S)-2-(4-chloro-2-fluorophenyl)-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide (CID 118091048) is carbonic acid;(2S)-2-(4-chloro-2-fluorophenyl)-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide.
What is the SMILES notation for carbonic acid;(2S)-2-(4-chloro-2-fluorophenyl)-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide?
The canonical SMILES for carbonic acid;(2S)-2-(4-chloro-2-fluorophenyl)-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide is O=C(Nc1cccc(CC2CC2)c1)[C@H](c1ccc(Cl)cc1F)C1CCCC1.O=C(O)O.
What is the InChIKey of carbonic acid;(2S)-2-(4-chloro-2-fluorophenyl)-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide?
The InChIKey is IVNLCIBEFZLDFF-FTBISJDPSA-N. The full InChI is InChI=1S/C23H25ClFNO.CH2O3/c24-18-10-11-20(21(25)14-18)22(17-5-1-2-6-17)23(27)26-19-7-3-4-16(13-19)12-15-8-9-15;2-1(3)4/h3-4,7,10-11,13-15,17,22H,1-2,5-6,8-9,12H2,(H,26,27);(H2,2,3,4)/t22-;/m0./s1.
What are the key properties of carbonic acid;(2S)-2-(4-chloro-2-fluorophenyl)-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide?
carbonic acid;(2S)-2-(4-chloro-2-fluorophenyl)-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide has a molecular weight of 447.93 g/mol, XLogP of 6.57, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;(2S)-2-(4-chloro-2-fluorophenyl)-2-cyclopentyl-N-[3-(cyclopropylmethyl)phenyl]acetamide is sourced from PubChem (CID 118091048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).