N-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide

C17H16ClNO — CID 110441479

IUPACN-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C17H16ClNO/c1-12-3-2-4-13(11-12)16(20)19-17(9-10-17)14-5-7-15(18)8-6-14/h2-8,11H,9-10H2,1H3,(H,19,20)
InChIKeyILPHGDZQBMINAS-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.07
Rot. Bonds3

About N-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide

N-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide (PubChem CID 110441479) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide
PubChem CID110441479
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC NameN-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NC2(c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C17H16ClNO/c1-12-3-2-4-13(11-12)16(20)19-17(9-10-17)14-5-7-15(18)8-6-14/h2-8,11H,9-10H2,1H3,(H,19,20)
InChIKeyILPHGDZQBMINAS-UHFFFAOYSA-N
XLogP4.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-chlorophenyl)cyclopropyl]-3-(dimethylamino)benzamide
CID 110444402
N-[1-(4-fluorophenyl)cyclobutyl]-3-methylbenzamide
CID 110441487
N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 959739
N-[1-(4-chlorophenyl)cyclopropyl]-2-methylbenzamide
CID 113091060
N-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide
CID 110440424
N-[1-(4-chlorophenyl)cyclopropyl]-1-methyl-2-oxopyridine-4-carboxamide
CID 56788161
N-[1-(4-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide
CID 110444802
3-amino-N-[1-(3-methylphenyl)cyclopentyl]benzamide
CID 119770621
N-[(4-chlorophenyl)methyl]-3-methylbenzamide
CID 966012
1-(2-bromo-4-methylphenyl)-3-[1-(4-chlorophenyl)cyclopropyl]urea
CID 113215529
N'-tert-butyl-N'-(4-chlorobenzoyl)-3-methylbenzohydrazide
CID 23164401
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3-methylbenzamide
CID 110291494

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide (CID 110441479) is N-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide is Cc1cccc(C(=O)NC2(c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of N-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide?
The InChIKey is ILPHGDZQBMINAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-12-3-2-4-13(11-12)16(20)19-17(9-10-17)14-5-7-15(18)8-6-14/h2-8,11H,9-10H2,1H3,(H,19,20).
What are the key properties of N-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide?
N-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide has a molecular weight of 285.77 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide is sourced from PubChem (CID 110441479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).