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

C11H13ClN2O2 — CID 115189617

IUPAC1-amino-N-(2-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(N)CC2)c(Cl)c1
InChIInChI=1S/C11H13ClN2O2/c1-16-7-2-3-9(8(12)6-7)14-10(15)11(13)4-5-11/h2-3,6H,4-5,13H2,1H3,(H,14,15)
InChIKeyUEIIOLQYWXNSOW-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.78
Rot. Bonds3

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

1-amino-N-(2-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide (PubChem CID 115189617) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 1-amino-N-(2-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide
PubChem CID115189617
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name1-amino-N-(2-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(N)CC2)c(Cl)c1
InChIInChI=1S/C11H13ClN2O2/c1-16-7-2-3-9(8(12)6-7)14-10(15)11(13)4-5-11/h2-3,6H,4-5,13H2,1H3,(H,14,15)
InChIKeyUEIIOLQYWXNSOW-UHFFFAOYSA-N
XLogP1.78
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(2,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 65466971
1-[(2-chloro-4-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 115181821
1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 81167421
N-(2-chloro-4-methoxyphenyl)-1-(4-chlorophenyl)cyclopropane-1-carboxamide
CID 86857924
2-[(1-aminocyclohexanecarbonyl)amino]-5-methoxybenzoic acid
CID 115411455
(1-aminocyclopropyl)-(2-chloro-4-methoxyphenyl)methanone
CID 116924320
(2-chloro-4-methoxyphenyl)carbamothioic S-acid
CID 115169707
1-amino-N-(2-chloro-4-nitrophenyl)cyclopropane-1-carboxamide
CID 65464856
1-amino-N-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxamide
CID 115189599
1-amino-N-(2,4,5-trichlorophenyl)cyclobutane-1-carboxamide
CID 81167511
1-amino-N-(2,4,5-trichlorophenyl)cyclohexane-1-carboxamide
CID 29300214
N-(2-chloro-4-methoxyphenyl)-2-hydroxy-2-methylpropanamide
CID 115178559

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(2-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide (CID 115189617) is 1-amino-N-(2-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(2-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(2-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide is COc1ccc(NC(=O)C2(N)CC2)c(Cl)c1.
What is the InChIKey of 1-amino-N-(2-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide?
The InChIKey is UEIIOLQYWXNSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-16-7-2-3-9(8(12)6-7)14-10(15)11(13)4-5-11/h2-3,6H,4-5,13H2,1H3,(H,14,15).
What are the key properties of 1-amino-N-(2-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide?
1-amino-N-(2-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide has a molecular weight of 240.69 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-chloro-4-methoxyphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115189617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).