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

C26H23ClN2O4 — CID 24864912

IUPACtrans-(1R,2R)-2-[4-[4-[(2-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1ccc(-c2ccc(C(=O)[C@@H]3CCC[C@H]3C(=O)O)cc2)cc1)Nc1ccccc1Cl
InChIInChI=1S/C26H23ClN2O4/c27-22-6-1-2-7-23(22)29-26(33)28-19-14-12-17(13-15-19)16-8-10-18(11-9-16)24(30)20-4-3-5-21(20)25(31)32/h1-2,6-15,20-21H,3-5H2,(H,31,32)(H2,28,29,33)/t20-,21-/m1/s1
InChIKeyYKLTVGBHFWIDDO-NHCUHLMSSA-N
MW462.93 g/mol
LogP6.33
Rot. Bonds6

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

trans-(1R,2R)-2-[4-[4-[(2-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid (PubChem CID 24864912) has the molecular formula C26H23ClN2O4 and a molecular weight of 462.93 g/mol. Its IUPAC name is trans-(1R,2R)-2-[4-[4-[(2-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[4-[4-[(2-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid
PubChem CID24864912
Molecular FormulaC26H23ClN2O4
Molecular Weight462.93 g/mol
Exact Mass462.13
IUPAC Nametrans-(1R,2R)-2-[4-[4-[(2-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1ccc(-c2ccc(C(=O)[C@@H]3CCC[C@H]3C(=O)O)cc2)cc1)Nc1ccccc1Cl
InChIInChI=1S/C26H23ClN2O4/c27-22-6-1-2-7-23(22)29-26(33)28-19-14-12-17(13-15-19)16-8-10-18(11-9-16)24(30)20-4-3-5-21(20)25(31)32/h1-2,6-15,20-21H,3-5H2,(H,31,32)(H2,28,29,33)/t20-,21-/m1/s1
InChIKeyYKLTVGBHFWIDDO-NHCUHLMSSA-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

2-[4-[4-[[2-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzoyl]cyclohexane-1-carboxylic acid
CID 69231992
trans-(1R,2R)-2-[4-[4-[(2,6-dimethylphenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid
CID 24866193
2-[4-(4-chlorophenyl)benzoyl]cyclopentane-1-carboxylic acid
CID 54395284
trans-(1S,2S)-2-[5-[4-[(2-fluorophenyl)carbamoylamino]phenyl]pyridine-2-carbonyl]cyclopentane-1-carboxylic acid
CID 69242222
trans-(1S,2S)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 786077
2-(4-chlorobenzoyl)cyclopentane-1-carboxylic acid
CID 53411598
2-[5-[4-[(3-chlorophenyl)carbamoylamino]phenyl]pyridine-2-carbonyl]cyclopentane-1-carboxylic acid
CID 69240310
1-(2-chlorophenyl)-3-[4-(4-hydroxypiperidin-1-yl)phenyl]urea
CID 47070264
trans-(1R,2R)-2-[4-[4-[(4-ethoxybenzoyl)amino]phenyl]benzoyl]cyclopentane-1-carboxylic acid
CID 11983467
4-[5-[4-[(2-chlorophenyl)carbamoylamino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid
CID 66609987
1-(2-chloro-3-cyclopropylphenyl)-3-[4-[4-[(1R,2R)-2-(dihydroxymethyl)cyclopropanecarbonyl]phenyl]phenyl]urea
CID 143314034
trans-(1R,2R)-2-[4-[4-(1,3-benzoxazol-2-ylamino)phenyl]benzoyl]cyclopentane-1-carboxylic acid
CID 11201134

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[4-[4-[(2-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[4-[4-[(2-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid (CID 24864912) is trans-(1R,2R)-2-[4-[4-[(2-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[4-[4-[(2-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[4-[4-[(2-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)Nc1ccccc1Cl.
What is the InChIKey of trans-(1R,2R)-2-[4-[4-[(2-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid?
The InChIKey is YKLTVGBHFWIDDO-NHCUHLMSSA-N. The full InChI is InChI=1S/C26H23ClN2O4/c27-22-6-1-2-7-23(22)29-26(33)28-19-14-12-17(13-15-19)16-8-10-18(11-9-16)24(30)20-4-3-5-21(20)25(31)32/h1-2,6-15,20-21H,3-5H2,(H,31,32)(H2,28,29,33)/t20-,21-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[4-[4-[(2-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid?
trans-(1R,2R)-2-[4-[4-[(2-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-[(2-chlorophenyl)carbamoylamino]phenyl]benzoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 24864912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).