trans-(1R,2R)-2-[4-[4-[(3-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid

C26H23ClN2O4 — CID 24768265

IUPACtrans-(1R,2R)-2-[4-[4-[(3-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1ccc(-c2ccc(C(=O)[C@@H]3CCC[C@H]3C(=O)O)cc2)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C26H23ClN2O4/c27-19-3-1-4-21(15-19)29-26(33)28-20-13-11-17(12-14-20)16-7-9-18(10-8-16)24(30)22-5-2-6-23(22)25(31)32/h1,3-4,7-15,22-23H,2,5-6H2,(H,31,32)(H2,28,29,33)/t22-,23-/m1/s1
InChIKeyNMTNXSFVPYVROS-DHIUTWEWSA-N
MW462.93 g/mol
LogP6.33
Rot. Bonds6

About trans-(1R,2R)-2-[4-[4-[(3-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid

trans-(1R,2R)-2-[4-[4-[(3-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid (PubChem CID 24768265) has the molecular formula C26H23ClN2O4 and a molecular weight of 462.93 g/mol. Its IUPAC name is trans-(1R,2R)-2-[4-[4-[(3-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[4-[4-[(3-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid
PubChem CID24768265
Molecular FormulaC26H23ClN2O4
Molecular Weight462.93 g/mol
Exact Mass462.13
IUPAC Nametrans-(1R,2R)-2-[4-[4-[(3-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1ccc(-c2ccc(C(=O)[C@@H]3CCC[C@H]3C(=O)O)cc2)cc1)Nc1cccc(Cl)c1
InChIInChI=1S/C26H23ClN2O4/c27-19-3-1-4-21(15-19)29-26(33)28-20-13-11-17(12-14-20)16-7-9-18(10-8-16)24(30)22-5-2-6-23(22)25(31)32/h1,3-4,7-15,22-23H,2,5-6H2,(H,31,32)(H2,28,29,33)/t22-,23-/m1/s1
InChIKeyNMTNXSFVPYVROS-DHIUTWEWSA-N
XLogP6.33
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.93
LogP ≤ 56.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R)-2-((4'-(((Phenylamino)carbonyl)amino)(1,1'-biphenyl)-4-yl)carbonyl)cyclopentanecarboxylic acid
CID 24768261
(3R)-3-(4-{[3-(2-chloro-4-{[(2-methylphenyl)carbamoyl]amino}phenyl)-2-oxo-1,2-dihydropyridin-1-yl]methyl}phenyl)butanoic acid
CID 23647675
(1R,2R)-2-({4-[4-({[2-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]phenyl}carbonyl)cyclopentane-1-carboxylic acid
CID 24768262
(1R,2R)-2-({4-[4-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]phenyl}carbonyl)cyclopentane-1-carboxylic acid
CID 24768263
(1R,2R)-2-{[4-(4-{[(3-fluorophenyl)carbamoyl]amino}phenyl)phenyl]carbonyl}cyclopentane-1-carboxylic acid
CID 24768264
(1R,2R)-2-({4-[4-({[2-fluoro-5-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]phenyl}carbonyl)cyclopentane-1-carboxylic acid
CID 24768266
(1R,2R)-2-{[4-(4-{[(4-cyanophenyl)carbamoyl]amino}phenyl)phenyl]carbonyl}cyclopentane-1-carboxylic acid
CID 24768269
(1R,2R)-2-({4-[4-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)phenyl]phenyl}carbonyl)cyclopentane-1-carboxylic acid
CID 24768270
(3S)-3-(4-{[3-(2-chloro-4-{[(2-methylphenyl)carbamoyl]amino}phenyl)-2-oxo-1,2-dihydropyridin-1-yl]methyl}phenyl)butanoic acid
CID 23647512
(1R,2R)-2-({4-[4-({[3-(methylcarbamoyl)phenyl]carbamoyl}amino)phenyl]phenyl}carbonyl)cyclopentane-1-carboxylic acid
CID 24768267
(1S,2S)-2-[(4-{4-[(phenylcarbamoyl)amino]phenyl}phenyl)carbonyl]cyclopentane-1-carboxylic acid
CID 24768272
(1S,2R)-2-[(4-{4-[(phenylcarbamoyl)amino]phenyl}phenyl)carbonyl]cyclopentane-1-carboxylic acid
CID 24768273

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[4-[4-[(3-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[4-[4-[(3-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid (CID 24768265) is trans-(1R,2R)-2-[4-[4-[(3-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[4-[4-[(3-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[4-[4-[(3-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid is O=C(Nc1ccc(-c2ccc(C(=O)[C@@H]3CCC[C@H]3C(=O)O)cc2)cc1)Nc1cccc(Cl)c1.
What is the InChIKey of trans-(1R,2R)-2-[4-[4-[(3-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid?
The InChIKey is NMTNXSFVPYVROS-DHIUTWEWSA-N. The full InChI is InChI=1S/C26H23ClN2O4/c27-19-3-1-4-21(15-19)29-26(33)28-20-13-11-17(12-14-20)16-7-9-18(10-8-16)24(30)22-5-2-6-23(22)25(31)32/h1,3-4,7-15,22-23H,2,5-6H2,(H,31,32)(H2,28,29,33)/t22-,23-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[4-[4-[(3-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid?
trans-(1R,2R)-2-[4-[4-[(3-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid has a molecular weight of 462.93 g/mol, XLogP of 6.33, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[4-[4-[(3-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 24768265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).