2-chloro-N-cyclohexyl-5-[(1-phenylcyclobutanecarbonyl)amino]benzamide

C24H27ClN2O2 — CID 52707482

IUPAC2-chloro-N-cyclohexyl-5-[(1-phenylcyclobutanecarbonyl)amino]benzamide
SMILESO=C(NC1CCCCC1)c1cc(NC(=O)C2(c3ccccc3)CCC2)ccc1Cl
InChIInChI=1S/C24H27ClN2O2/c25-21-13-12-19(16-20(21)22(28)26-18-10-5-2-6-11-18)27-23(29)24(14-7-15-24)17-8-3-1-4-9-17/h1,3-4,8-9,12-13,16,18H,2,5-7,10-11,14-15H2,(H,26,28)(H,27,29)
InChIKeyFVAZCZUMSBMFHV-UHFFFAOYSA-N
MW410.95 g/mol
LogP5.46
Rot. Bonds5

About 2-chloro-N-cyclohexyl-5-[(1-phenylcyclobutanecarbonyl)amino]benzamide

2-chloro-N-cyclohexyl-5-[(1-phenylcyclobutanecarbonyl)amino]benzamide (PubChem CID 52707482) has the molecular formula C24H27ClN2O2 and a molecular weight of 410.95 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-5-[(1-phenylcyclobutanecarbonyl)amino]benzamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-5-[(1-phenylcyclobutanecarbonyl)amino]benzamide
PubChem CID52707482
Molecular FormulaC24H27ClN2O2
Molecular Weight410.95 g/mol
Exact Mass410.18
IUPAC Name2-chloro-N-cyclohexyl-5-[(1-phenylcyclobutanecarbonyl)amino]benzamide
SMILESO=C(NC1CCCCC1)c1cc(NC(=O)C2(c3ccccc3)CCC2)ccc1Cl
InChIInChI=1S/C24H27ClN2O2/c25-21-13-12-19(16-20(21)22(28)26-18-10-5-2-6-11-18)27-23(29)24(14-7-15-24)17-8-3-1-4-9-17/h1,3-4,8-9,12-13,16,18H,2,5-7,10-11,14-15H2,(H,26,28)(H,27,29)
InChIKeyFVAZCZUMSBMFHV-UHFFFAOYSA-N
XLogP5.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.95
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-4-phenylpiperidine-4-carboxamide
CID 52707459
2-chloro-N-cyclohexyl-5-(phenylcarbamoylamino)benzamide
CID 17188425
2-chloro-N-cyclohexyl-5-(cyclohexylcarbamoylamino)benzamide
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2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
N-(3-chloro-4-methylphenyl)-1-phenylcyclobutane-1-carboxamide
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2-chloro-N-cyclohexyl-5-(4-phenylbutanoylamino)benzamide
CID 60540414
2-[[4-chloro-3-(cyclohexylcarbamoyl)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975390
2-chloro-N-cyclohexyl-5-[[2-(4-phenylphenoxy)acetyl]amino]benzamide
CID 17188486
2-chloro-N-cyclohexyl-5-[4-(methylamino)butanoylamino]benzamide
CID 119743114
2-chloro-N-cyclohexyl-5-[[2-(4-phenoxyanilino)acetyl]amino]benzamide
CID 54812588
2-chloro-N-cyclohexyl-5-[[2-(prop-2-enylamino)acetyl]amino]benzamide
CID 54818353
2-chloro-N-cyclohexyl-5-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 17188518

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-5-[(1-phenylcyclobutanecarbonyl)amino]benzamide?
The IUPAC name of 2-chloro-N-cyclohexyl-5-[(1-phenylcyclobutanecarbonyl)amino]benzamide (CID 52707482) is 2-chloro-N-cyclohexyl-5-[(1-phenylcyclobutanecarbonyl)amino]benzamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-5-[(1-phenylcyclobutanecarbonyl)amino]benzamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-5-[(1-phenylcyclobutanecarbonyl)amino]benzamide is O=C(NC1CCCCC1)c1cc(NC(=O)C2(c3ccccc3)CCC2)ccc1Cl.
What is the InChIKey of 2-chloro-N-cyclohexyl-5-[(1-phenylcyclobutanecarbonyl)amino]benzamide?
The InChIKey is FVAZCZUMSBMFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O2/c25-21-13-12-19(16-20(21)22(28)26-18-10-5-2-6-11-18)27-23(29)24(14-7-15-24)17-8-3-1-4-9-17/h1,3-4,8-9,12-13,16,18H,2,5-7,10-11,14-15H2,(H,26,28)(H,27,29).
What are the key properties of 2-chloro-N-cyclohexyl-5-[(1-phenylcyclobutanecarbonyl)amino]benzamide?
2-chloro-N-cyclohexyl-5-[(1-phenylcyclobutanecarbonyl)amino]benzamide has a molecular weight of 410.95 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-5-[(1-phenylcyclobutanecarbonyl)amino]benzamide is sourced from PubChem (CID 52707482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).