[2-[3-chloro-4-(2-methylphenyl)anilino]phenyl]-cyclohexylcarbamic acid

C26H27ClN2O2 — CID 174373312

IUPAC[2-[3-chloro-4-(2-methylphenyl)anilino]phenyl]-cyclohexylcarbamic acid
SMILESCc1ccccc1-c1ccc(Nc2ccccc2N(C(=O)O)C2CCCCC2)cc1Cl
InChIInChI=1S/C26H27ClN2O2/c1-18-9-5-6-12-21(18)22-16-15-19(17-23(22)27)28-24-13-7-8-14-25(24)29(26(30)31)20-10-3-2-4-11-20/h5-9,12-17,20,28H,2-4,10-11H2,1H3,(H,30,31)
InChIKeyXDICHLMKUYXFGQ-UHFFFAOYSA-N
MW434.97 g/mol
LogP7.88
Rot. Bonds5

About [2-[3-chloro-4-(2-methylphenyl)anilino]phenyl]-cyclohexylcarbamic acid

[2-[3-chloro-4-(2-methylphenyl)anilino]phenyl]-cyclohexylcarbamic acid (PubChem CID 174373312) has the molecular formula C26H27ClN2O2 and a molecular weight of 434.97 g/mol. Its IUPAC name is [2-[3-chloro-4-(2-methylphenyl)anilino]phenyl]-cyclohexylcarbamic acid.

Molecular Properties

Compound Name[2-[3-chloro-4-(2-methylphenyl)anilino]phenyl]-cyclohexylcarbamic acid
PubChem CID174373312
Molecular FormulaC26H27ClN2O2
Molecular Weight434.97 g/mol
Exact Mass434.18
IUPAC Name[2-[3-chloro-4-(2-methylphenyl)anilino]phenyl]-cyclohexylcarbamic acid
SMILESCc1ccccc1-c1ccc(Nc2ccccc2N(C(=O)O)C2CCCCC2)cc1Cl
InChIInChI=1S/C26H27ClN2O2/c1-18-9-5-6-12-21(18)22-16-15-19(17-23(22)27)28-24-13-7-8-14-25(24)29(26(30)31)20-10-3-2-4-11-20/h5-9,12-17,20,28H,2-4,10-11H2,1H3,(H,30,31)
InChIKeyXDICHLMKUYXFGQ-UHFFFAOYSA-N
XLogP7.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.97
LogP ≤ 57.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cyclohexyl-(2-methylphenyl)carbamic acid
CID 151470608
(4R)-N-[3-chloro-4-(2-methylphenyl)phenyl]-4-fluoropiperidine-2-carboxamide
CID 146649079
2-chloro-N-cyclohexyl-N-methyl-4-[[2-[(2-methylphenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 60539246
1-cyclohexyl-1-methyl-3-(2-methylphenyl)urea
CID 5051501
2-anilino-N,N-dicyclohexylbenzamide
CID 5089823
N-[2-[benzoyl(cyclohexyl)amino]phenyl]-N-cyclohexylbenzamide
CID 171577199
2-chloro-4-(4-chloro-2-fluoroanilino)-N-cyclohexyl-N-(4-methylbenzoyl)benzamide
CID 91301897
2-[cycloheptyl(methyl)amino]-N-(2-methylphenyl)acetamide
CID 16577693
1-[[4-[2-chloro-4-(2-methylphenyl)anilino]phenyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 155134336
(2-bromophenyl)-cyclopropylcarbamic acid
CID 174207463
[2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 22174560
3-[acetyl(cyclopentyl)amino]-N-(3-chloro-4-methylphenyl)propanamide
CID 113116428

Frequently Asked Questions

What is the IUPAC name of [2-[3-chloro-4-(2-methylphenyl)anilino]phenyl]-cyclohexylcarbamic acid?
The IUPAC name of [2-[3-chloro-4-(2-methylphenyl)anilino]phenyl]-cyclohexylcarbamic acid (CID 174373312) is [2-[3-chloro-4-(2-methylphenyl)anilino]phenyl]-cyclohexylcarbamic acid.
What is the SMILES notation for [2-[3-chloro-4-(2-methylphenyl)anilino]phenyl]-cyclohexylcarbamic acid?
The canonical SMILES for [2-[3-chloro-4-(2-methylphenyl)anilino]phenyl]-cyclohexylcarbamic acid is Cc1ccccc1-c1ccc(Nc2ccccc2N(C(=O)O)C2CCCCC2)cc1Cl.
What is the InChIKey of [2-[3-chloro-4-(2-methylphenyl)anilino]phenyl]-cyclohexylcarbamic acid?
The InChIKey is XDICHLMKUYXFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN2O2/c1-18-9-5-6-12-21(18)22-16-15-19(17-23(22)27)28-24-13-7-8-14-25(24)29(26(30)31)20-10-3-2-4-11-20/h5-9,12-17,20,28H,2-4,10-11H2,1H3,(H,30,31).
What are the key properties of [2-[3-chloro-4-(2-methylphenyl)anilino]phenyl]-cyclohexylcarbamic acid?
[2-[3-chloro-4-(2-methylphenyl)anilino]phenyl]-cyclohexylcarbamic acid has a molecular weight of 434.97 g/mol, XLogP of 7.88, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-chloro-4-(2-methylphenyl)anilino]phenyl]-cyclohexylcarbamic acid is sourced from PubChem (CID 174373312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).