2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid

C19H23ClN2O4 — CID 120975390

IUPAC2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(NC1CCCCC1)c1cc(NC(=O)C2CCC2C(=O)O)ccc1Cl
InChIInChI=1S/C19H23ClN2O4/c20-16-9-6-12(22-17(23)13-7-8-14(13)19(25)26)10-15(16)18(24)21-11-4-2-1-3-5-11/h6,9-11,13-14H,1-5,7-8H2,(H,21,24)(H,22,23)(H,25,26)
InChIKeyYQQGTHTWNJHHBB-UHFFFAOYSA-N
MW378.86 g/mol
LogP3.45
Rot. Bonds5

About 2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid

2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120975390) has the molecular formula C19H23ClN2O4 and a molecular weight of 378.86 g/mol. Its IUPAC name is 2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120975390
Molecular FormulaC19H23ClN2O4
Molecular Weight378.86 g/mol
Exact Mass378.13
IUPAC Name2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(NC1CCCCC1)c1cc(NC(=O)C2CCC2C(=O)O)ccc1Cl
InChIInChI=1S/C19H23ClN2O4/c20-16-9-6-12(22-17(23)13-7-8-14(13)19(25)26)10-15(16)18(24)21-11-4-2-1-3-5-11/h6,9-11,13-14H,1-5,7-8H2,(H,21,24)(H,22,23)(H,25,26)
InChIKeyYQQGTHTWNJHHBB-UHFFFAOYSA-N
XLogP3.45
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
CID 17188470
2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
CID 17188425
trans-(1R,2R)-2-[(3,4-dichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 763889
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 119300196
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
2-[(3-chloro-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2856466
2-N-cyclopentyl-1-N-(3,4-dichlorophenyl)cyclopropane-1,2-dicarboxamide
CID 109132157
(2R,3S)-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120926979
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 55905233
2-chloro-N-cyclohexyl-5-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 54815159
2-chloro-N-cyclohexyl-5-[(1-phenylcyclobutanecarbonyl)amino]benzamide
CID 52707482
N'-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-N-(3-methoxycyclobutyl)oxamide
CID 167767569

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid (CID 120975390) is 2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid is O=C(NC1CCCCC1)c1cc(NC(=O)C2CCC2C(=O)O)ccc1Cl.
What is the InChIKey of 2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is YQQGTHTWNJHHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4/c20-16-9-6-12(22-17(23)13-7-8-14(13)19(25)26)10-15(16)18(24)21-11-4-2-1-3-5-11/h6,9-11,13-14H,1-5,7-8H2,(H,21,24)(H,22,23)(H,25,26).
What are the key properties of 2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid?
2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 378.86 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120975390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).