1-[(2-chloro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid

C15H19ClN2O3 — CID 107627959

IUPAC1-[(2-chloro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(Cl)c(NC(=O)NC2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C15H19ClN2O3/c1-10-5-6-11(16)12(9-10)17-14(21)18-15(13(19)20)7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyCWNAVIIEVGDSAQ-UHFFFAOYSA-N
MW310.78 g/mol
LogP3.56
Rot. Bonds3

About 1-[(2-chloro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid

1-[(2-chloro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 107627959) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-[(2-chloro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chloro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID107627959
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-[(2-chloro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(Cl)c(NC(=O)NC2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C15H19ClN2O3/c1-10-5-6-11(16)12(9-10)17-14(21)18-15(13(19)20)7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyCWNAVIIEVGDSAQ-UHFFFAOYSA-N
XLogP3.56
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methoxy-5-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61183715
1-[(4-chloro-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61468561
1-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61199392
1-[(2,4-dichlorophenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81160963
1-[(2-bromo-5-chlorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 81280606
1-[(3-chloro-4-methylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81164066
2-[(2-chloro-5-methylphenyl)carbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 107627661
1-[(2-iodophenyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61184494
1-[(3-bromo-2-methylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 107627199
1-[(3-fluoro-5-methylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81162784
1-[(2-bromo-5-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 107629068
1-[(5-bromo-2-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61202086

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2-chloro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid (CID 107627959) is 1-[(2-chloro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-chloro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2-chloro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid is Cc1ccc(Cl)c(NC(=O)NC2(C(=O)O)CCCCC2)c1.
What is the InChIKey of 1-[(2-chloro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is CWNAVIIEVGDSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-10-5-6-11(16)12(9-10)17-14(21)18-15(13(19)20)7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 1-[(2-chloro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid?
1-[(2-chloro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 310.78 g/mol, XLogP of 3.56, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-5-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 107627959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).