N-(4-amino-2-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide

C12H15ClN2O — CID 107000204

IUPACN-(4-amino-2-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C12H15ClN2O/c1-12(2)6-8(12)11(16)15-10-4-3-7(14)5-9(10)13/h3-5,8H,6,14H2,1-2H3,(H,15,16)
InChIKeyWLGQXGGKAAXLSF-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.91
Rot. Bonds2

About N-(4-amino-2-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide

N-(4-amino-2-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 107000204) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID107000204
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC NameN-(4-amino-2-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C12H15ClN2O/c1-12(2)6-8(12)11(16)15-10-4-3-7(14)5-9(10)13/h3-5,8H,6,14H2,1-2H3,(H,15,16)
InChIKeyWLGQXGGKAAXLSF-UHFFFAOYSA-N
XLogP2.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-3-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103578310
N-[2-amino-4-(trifluoromethyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107000194
N-(5-amino-2,4-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107000303
N-(4-amino-2-methylphenyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107174697
N-(4-amino-2,6-dimethylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107000287
N-(4-amino-2-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174818
N-(4-amino-2-methoxyphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174704
N-(4-amino-2-chlorophenyl)-2-methoxypropanamide
CID 16788780
N-[5-chloro-2-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002935
N-[2-chloro-5-(3-hydroxyprop-1-ynyl)phenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107002367
N-(3-chloro-4-sulfamoylphenyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 107002039
4-amino-N-(4-amino-2-chlorophenyl)benzamide
CID 577458

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 107000204) is N-(4-amino-2-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is WLGQXGGKAAXLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-12(2)6-8(12)11(16)15-10-4-3-7(14)5-9(10)13/h3-5,8H,6,14H2,1-2H3,(H,15,16).
What are the key properties of N-(4-amino-2-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide?
N-(4-amino-2-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 238.72 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 107000204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).