N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide

C17H16ClNO2 — CID 86857978

IUPACN-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CC2c2ccccc2)c(Cl)c1
InChIInChI=1S/C17H16ClNO2/c1-21-12-7-8-16(15(18)9-12)19-17(20)14-10-13(14)11-5-3-2-4-6-11/h2-9,13-14H,10H2,1H3,(H,19,20)
InChIKeyXQIKIQYPMODJNN-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.09
Rot. Bonds4

About N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide

N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide (PubChem CID 86857978) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide
PubChem CID86857978
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC NameN-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CC2c2ccccc2)c(Cl)c1
InChIInChI=1S/C17H16ClNO2/c1-21-12-7-8-16(15(18)9-12)19-17(20)14-10-13(14)11-5-3-2-4-6-11/h2-9,13-14H,10H2,1H3,(H,19,20)
InChIKeyXQIKIQYPMODJNN-UHFFFAOYSA-N
XLogP4.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methoxy-4-[3-methoxy-4-[(2-phenylcyclopropanecarbonyl)amino]phenyl]phenyl]-2-phenylcyclopropane-1-carboxamide
CID 3698096
N-(5-chloro-2-phenoxyphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84569153
methyl 4-chloro-3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate
CID 84569184
cis-(1S,2R)-2-[(2-chloro-5-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114092154
cis-(1S,2R)-N-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 868729
N-(2-chloro-4-methoxyphenyl)cyclopentanecarboxamide
CID 110777920
trans-(1R,2R)-N-(5-chloro-2-methylphenyl)-2-phenylcyclopropane-1-carboxamide
CID 887653
trans-(1R,2R)-N-(2-methoxy-4-nitrophenyl)-2-phenylcyclopropane-1-carboxamide
CID 7409539
2-[4-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylphenoxy]acetic acid
CID 119231558
N-(4-iodo-2-methylphenyl)-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 84569194
1-N-(2,4-dichlorophenyl)-2-N-(4-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143453
2-(4-methoxyphenyl)-N-(2,3,4-trifluorophenyl)cyclopropane-1-carboxamide
CID 84569198

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide (CID 86857978) is N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide is COc1ccc(NC(=O)C2CC2c2ccccc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide?
The InChIKey is XQIKIQYPMODJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-21-12-7-8-16(15(18)9-12)19-17(20)14-10-13(14)11-5-3-2-4-6-11/h2-9,13-14H,10H2,1H3,(H,19,20).
What are the key properties of N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide?
N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide has a molecular weight of 301.77 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methoxyphenyl)-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 86857978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).