N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide

C17H16ClNO — CID 2933369

IUPACN-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CC1c1ccccc1
InChIInChI=1S/C17H16ClNO/c1-11-7-8-13(18)9-16(11)19-17(20)15-10-14(15)12-5-3-2-4-6-12/h2-9,14-15H,10H2,1H3,(H,19,20)
InChIKeyLWSDYHNAIGPHPM-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.39
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide

N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 2933369) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID2933369
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC NameN-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CC1c1ccccc1
InChIInChI=1S/C17H16ClNO/c1-11-7-8-13(18)9-16(11)19-17(20)15-10-14(15)12-5-3-2-4-6-12/h2-9,14-15H,10H2,1H3,(H,19,20)
InChIKeyLWSDYHNAIGPHPM-UHFFFAOYSA-N
XLogP4.39
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 ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide (CID 2933369) is N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide is Cc1ccc(Cl)cc1NC(=O)C1CC1c1ccccc1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is LWSDYHNAIGPHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-11-7-8-13(18)9-16(11)19-17(20)15-10-14(15)12-5-3-2-4-6-12/h2-9,14-15H,10H2,1H3,(H,19,20).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide?
N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 285.77 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 2933369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).