1-amino-N-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxamide

C12H15ClN2O2 — CID 115189599

IUPAC1-amino-N-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1cc(C)c(NC(=O)C2(N)CC2)cc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-7-5-10(17-2)8(13)6-9(7)15-11(16)12(14)3-4-12/h5-6H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyXGTLFLFFAFRLCU-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.09
Rot. Bonds3

About 1-amino-N-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxamide

1-amino-N-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 115189599) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 1-amino-N-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxamide
PubChem CID115189599
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name1-amino-N-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxamide
SMILESCOc1cc(C)c(NC(=O)C2(N)CC2)cc1Cl
InChIInChI=1S/C12H15ClN2O2/c1-7-5-10(17-2)8(13)6-9(7)15-11(16)12(14)3-4-12/h5-6H,3-4,14H2,1-2H3,(H,15,16)
InChIKeyXGTLFLFFAFRLCU-UHFFFAOYSA-N
XLogP2.09
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-4-methoxy-2-methylphenyl)-3-methylurea
CID 115168887
2-(5-chloro-4-methoxy-2-methylanilino)-2-oxoacetic acid
CID 82497514
1-amino-N-(5-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 65465047
3-amino-N-(5-chloro-4-methoxy-2-methylphenyl)propanamide
CID 82497353
4-amino-N-(2-chloro-4,5-dimethoxyphenyl)oxane-4-carboxamide
CID 115293932
N-(5-chloro-4-methoxy-2-methylphenyl)-2-hydroxypropanamide
CID 115140378
tert-butyl N-(5-chloro-4-methoxy-2-methylphenyl)carbamate
CID 69097022
1-amino-N-(2,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 65466971
4-amino-N-(2-methoxy-4-methylphenyl)oxane-4-carboxamide
CID 115294141
1-amino-N-(2,4-dimethylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119670578
1-amino-N-(3,4,5-trimethoxyphenyl)cyclopropane-1-carboxamide
CID 65464390
1-amino-N-(2-methoxy-4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 115189608

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxamide (CID 115189599) is 1-amino-N-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxamide is COc1cc(C)c(NC(=O)C2(N)CC2)cc1Cl.
What is the InChIKey of 1-amino-N-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is XGTLFLFFAFRLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-7-5-10(17-2)8(13)6-9(7)15-11(16)12(14)3-4-12/h5-6H,3-4,14H2,1-2H3,(H,15,16).
What are the key properties of 1-amino-N-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxamide?
1-amino-N-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(5-chloro-4-methoxy-2-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115189599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).