4-chloro-N-[4-[1-(propan-2-ylcarbamoyl)cyclopropyl]phenyl]benzamide

C20H21ClN2O2 — CID 50821647

IUPAC4-chloro-N-[4-[1-(propan-2-ylcarbamoyl)cyclopropyl]phenyl]benzamide
SMILESCC(C)NC(=O)C1(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C20H21ClN2O2/c1-13(2)22-19(25)20(11-12-20)15-5-9-17(10-6-15)23-18(24)14-3-7-16(21)8-4-14/h3-10,13H,11-12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyFLBVHXOGBRGAIY-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.15
Rot. Bonds5

About 4-chloro-N-[4-[1-(propan-2-ylcarbamoyl)cyclopropyl]phenyl]benzamide

4-chloro-N-[4-[1-(propan-2-ylcarbamoyl)cyclopropyl]phenyl]benzamide (PubChem CID 50821647) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is 4-chloro-N-[4-[1-(propan-2-ylcarbamoyl)cyclopropyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[1-(propan-2-ylcarbamoyl)cyclopropyl]phenyl]benzamide
PubChem CID50821647
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC Name4-chloro-N-[4-[1-(propan-2-ylcarbamoyl)cyclopropyl]phenyl]benzamide
SMILESCC(C)NC(=O)C1(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1
InChIInChI=1S/C20H21ClN2O2/c1-13(2)22-19(25)20(11-12-20)15-5-9-17(10-6-15)23-18(24)14-3-7-16(21)8-4-14/h3-10,13H,11-12H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyFLBVHXOGBRGAIY-UHFFFAOYSA-N
XLogP4.15
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[4-[1-(3-methoxypropylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821650
4-chloro-N-[4-[1-(2-methoxyethylcarbamoyl)cyclobutyl]phenyl]benzamide
CID 46384111
4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]-N-propan-2-ylbenzamide
CID 55887284
4-chloro-N-[4-[1-(2-phenylethylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821648
N-[4-[1-(butan-2-ylcarbamoyl)cyclopropyl]phenyl]-4-methoxybenzamide
CID 50821478
4-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180574
1-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]cyclopropane-1-carboxamide
CID 27742660
N-[4-[1-(butylcarbamoyl)cyclopropyl]phenyl]-4-chlorobenzamide;2,2,2-trifluoroacetic acid
CID 146062423
4-bromo-N-[4-[1-(2-methylpropylcarbamoyl)cyclopropyl]phenyl]benzamide
CID 50821654
methyl 2-[[4-[[1-(4-chlorophenyl)cyclobutanecarbonyl]amino]benzoyl]amino]acetate
CID 60606151
ethyl 4-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]benzoate
CID 8885490
1-(4-aminophenyl)-N-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 99706799

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[1-(propan-2-ylcarbamoyl)cyclopropyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[1-(propan-2-ylcarbamoyl)cyclopropyl]phenyl]benzamide (CID 50821647) is 4-chloro-N-[4-[1-(propan-2-ylcarbamoyl)cyclopropyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[1-(propan-2-ylcarbamoyl)cyclopropyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[1-(propan-2-ylcarbamoyl)cyclopropyl]phenyl]benzamide is CC(C)NC(=O)C1(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)CC1.
What is the InChIKey of 4-chloro-N-[4-[1-(propan-2-ylcarbamoyl)cyclopropyl]phenyl]benzamide?
The InChIKey is FLBVHXOGBRGAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-13(2)22-19(25)20(11-12-20)15-5-9-17(10-6-15)23-18(24)14-3-7-16(21)8-4-14/h3-10,13H,11-12H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of 4-chloro-N-[4-[1-(propan-2-ylcarbamoyl)cyclopropyl]phenyl]benzamide?
4-chloro-N-[4-[1-(propan-2-ylcarbamoyl)cyclopropyl]phenyl]benzamide has a molecular weight of 356.85 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[1-(propan-2-ylcarbamoyl)cyclopropyl]phenyl]benzamide is sourced from PubChem (CID 50821647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).