2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid

C20H22N2O3 — CID 2884537

IUPAC2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)Nc1ccccc1Nc1ccccc1
InChIInChI=1S/C20H22N2O3/c23-19(15-10-4-5-11-16(15)20(24)25)22-18-13-7-6-12-17(18)21-14-8-2-1-3-9-14/h1-3,6-9,12-13,15-16,21H,4-5,10-11H2,(H,22,23)(H,24,25)
InChIKeyLFBDRDBSOCWZDH-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.26
Rot. Bonds5

About 2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid

2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 2884537) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID2884537
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1C(=O)Nc1ccccc1Nc1ccccc1
InChIInChI=1S/C20H22N2O3/c23-19(15-10-4-5-11-16(15)20(24)25)22-18-13-7-6-12-17(18)21-14-8-2-1-3-9-14/h1-3,6-9,12-13,15-16,21H,4-5,10-11H2,(H,22,23)(H,24,25)
InChIKeyLFBDRDBSOCWZDH-UHFFFAOYSA-N
XLogP4.26
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,2R)-2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylate
CID 6937463
cis-(1S,2R)-2-[(4-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 696808
trans-(1S,2S)-2-(phenylcarbamoyl)cyclohexane-1-carboxylic acid
CID 41097609
trans-(1S,2S)-2-[(2-chlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 786077
2-[(2-aminophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 61403717
trans-(1R,2R)-1-N,2-N-diphenylcyclohexane-1,2-dicarboxamide
CID 15685590
trans-(1R,2R)-2-(naphthalen-1-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 823443
2-[(2-tert-butylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 22688945
2-[[4-(phenylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 5165386
2-[(phenylcarbamoylamino)carbamoyl]cyclohexane-1-carboxylic acid
CID 3948884
(1S)-2-[(phenylcarbamoylamino)carbamoyl]cyclohexane-1-carboxylic acid
CID 46738372
cis-(1R,2S)-2-[[2-[(3-chlorophenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 982056

Frequently Asked Questions

What is the IUPAC name of 2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid (CID 2884537) is 2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1C(=O)Nc1ccccc1Nc1ccccc1.
What is the InChIKey of 2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is LFBDRDBSOCWZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c23-19(15-10-4-5-11-16(15)20(24)25)22-18-13-7-6-12-17(18)21-14-8-2-1-3-9-14/h1-3,6-9,12-13,15-16,21H,4-5,10-11H2,(H,22,23)(H,24,25).
What are the key properties of 2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid?
2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 338.41 g/mol, XLogP of 4.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-anilinophenyl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2884537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).