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

C17H16ClNO — CID 110440424

IUPACN-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C17H16ClNO/c1-12-5-7-13(8-6-12)16(20)19-17(9-10-17)14-3-2-4-15(18)11-14/h2-8,11H,9-10H2,1H3,(H,19,20)
InChIKeyWLLROGPFXLKTMT-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.07
Rot. Bonds3

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

N-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide (PubChem CID 110440424) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide
PubChem CID110440424
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC NameN-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C17H16ClNO/c1-12-5-7-13(8-6-12)16(20)19-17(9-10-17)14-3-2-4-15(18)11-14/h2-8,11H,9-10H2,1H3,(H,19,20)
InChIKeyWLLROGPFXLKTMT-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-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441685
[1-(3-chlorophenyl)cyclopropyl]carbamic acid
CID 122529573
N-[1-(3-chlorophenyl)cyclopentyl]-4-(dimethylamino)benzamide
CID 110444472
2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide
CID 110440796
N-[1-(3-chlorophenyl)cyclopropyl]-2-methoxybenzamide
CID 110443934
N-[1-(3-chlorophenyl)cyclopropyl]pyridine-2-carboxamide
CID 110444338
N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110441196
N-[1-(3-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide
CID 110444805
N-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide
CID 110441479
1-[1-(3-chlorophenyl)cyclopropyl]-3-ethylurea
CID 110490719
2-chloro-N-[1-(3-chlorophenyl)cyclopropyl]-6-fluorobenzamide
CID 110445814
N-[1-(3-chlorophenyl)cyclopentyl]-1H-pyrazole-4-carboxamide
CID 136515658

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide?
The IUPAC name of N-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide (CID 110440424) is N-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide?
The canonical SMILES for N-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide is Cc1ccc(C(=O)NC2(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of N-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide?
The InChIKey is WLLROGPFXLKTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-12-5-7-13(8-6-12)16(20)19-17(9-10-17)14-3-2-4-15(18)11-14/h2-8,11H,9-10H2,1H3,(H,19,20).
What are the key properties of N-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide?
N-[1-(3-chlorophenyl)cyclopropyl]-4-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-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide is sourced from PubChem (CID 110440424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).