N-[1-(4-chlorophenyl)cyclopropyl]-2-methylbenzamide

C17H16ClNO — CID 113091060

IUPACN-[1-(4-chlorophenyl)cyclopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H16ClNO/c1-12-4-2-3-5-15(12)16(20)19-17(10-11-17)13-6-8-14(18)9-7-13/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyMVOWITMCTJMZPO-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.07
Rot. Bonds3

About N-[1-(4-chlorophenyl)cyclopropyl]-2-methylbenzamide

N-[1-(4-chlorophenyl)cyclopropyl]-2-methylbenzamide (PubChem CID 113091060) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)cyclopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)cyclopropyl]-2-methylbenzamide
PubChem CID113091060
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC NameN-[1-(4-chlorophenyl)cyclopropyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H16ClNO/c1-12-4-2-3-5-15(12)16(20)19-17(10-11-17)13-6-8-14(18)9-7-13/h2-9H,10-11H2,1H3,(H,19,20)
InChIKeyMVOWITMCTJMZPO-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-fluorophenyl)cyclopropyl]-2-methylbenzamide
CID 110483009
1-[1-(4-chlorophenyl)cyclopropyl]-3-(2-methylphenyl)urea
CID 113215464
N-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide
CID 110441479
2-chloro-6-fluoro-3-methyl-N-(1-phenylcyclopropyl)benzamide
CID 91837557
2-hydroxy-N-(1-phenylcyclopropyl)benzamide
CID 110485071
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449030
N-[4-(4-chlorophenyl)oxan-4-yl]-4-cyano-2-methylbenzamide
CID 136516893
N'-(4-chlorobenzoyl)-2-methylbenzohydrazide
CID 795258
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
2-amino-3-chloro-N-(1-phenylcyclopropyl)benzamide
CID 82546637
N-[1-(4-chlorophenyl)cyclopropyl]-3-(dimethylamino)benzamide
CID 110444402
N-[1-(4-chlorophenyl)cyclopropyl]butanamide
CID 113091058

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)cyclopropyl]-2-methylbenzamide?
The IUPAC name of N-[1-(4-chlorophenyl)cyclopropyl]-2-methylbenzamide (CID 113091060) is N-[1-(4-chlorophenyl)cyclopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)cyclopropyl]-2-methylbenzamide?
The canonical SMILES for N-[1-(4-chlorophenyl)cyclopropyl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-(4-chlorophenyl)cyclopropyl]-2-methylbenzamide?
The InChIKey is MVOWITMCTJMZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-12-4-2-3-5-15(12)16(20)19-17(10-11-17)13-6-8-14(18)9-7-13/h2-9H,10-11H2,1H3,(H,19,20).
What are the key properties of N-[1-(4-chlorophenyl)cyclopropyl]-2-methylbenzamide?
N-[1-(4-chlorophenyl)cyclopropyl]-2-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]-2-methylbenzamide is sourced from PubChem (CID 113091060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).