N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide

C18H18ClNO2 — CID 110438923

IUPACN-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)Nc2ccc(Cl)cc2C)CC1
InChIInChI=1S/C18H18ClNO2/c1-12-11-13(19)7-8-15(12)20-17(21)18(9-10-18)14-5-3-4-6-16(14)22-2/h3-8,11H,9-10H2,1-2H3,(H,20,21)
InChIKeySBVQHTWQNJRLGL-UHFFFAOYSA-N
MW315.80 g/mol
LogP4.33
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide

N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 110438923) has the molecular formula C18H18ClNO2 and a molecular weight of 315.80 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID110438923
Molecular FormulaC18H18ClNO2
Molecular Weight315.80 g/mol
Exact Mass315.10
IUPAC NameN-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccccc1C1(C(=O)Nc2ccc(Cl)cc2C)CC1
InChIInChI=1S/C18H18ClNO2/c1-12-11-13(19)7-8-15(12)20-17(21)18(9-10-18)14-5-3-4-6-16(14)22-2/h3-8,11H,9-10H2,1-2H3,(H,20,21)
InChIKeySBVQHTWQNJRLGL-UHFFFAOYSA-N
XLogP4.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 110438924
N-(3-chloro-4-methylphenyl)-1-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439021
3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-4-methylbenzoic acid
CID 119219323
N-(4-chloro-2-methylphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 7914599
5-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]-2-methylbenzoic acid
CID 119255092
1-(2-methoxyphenyl)-N-(2-methyl-4-pyridinyl)cyclopropane-1-carboxamide
CID 110439650
methyl 3-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate
CID 110438930
1-(2-methoxyphenyl)-N-(3-methoxyphenyl)cyclobutane-1-carboxamide
CID 110439026
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-methoxybenzamide
CID 26686342
2-[2-fluoro-4-[[1-(2-methoxyphenyl)cyclopropanecarbonyl]amino]phenyl]acetic acid
CID 122109940
N-(4-chloro-2-methylphenyl)-3-(2,6-dimethoxyphenyl)propanamide
CID 100789502
N-(4-chloro-2-methylphenyl)-1-(3-fluorophenyl)cyclobutane-1-carboxamide
CID 52559237

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide (CID 110438923) is N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccccc1C1(C(=O)Nc2ccc(Cl)cc2C)CC1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is SBVQHTWQNJRLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO2/c1-12-11-13(19)7-8-15(12)20-17(21)18(9-10-18)14-5-3-4-6-16(14)22-2/h3-8,11H,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide?
N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 315.80 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-1-(2-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 110438923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).