1-(4-aminophenyl)-N-(2-bromo-5-methylphenyl)cyclopropane-1-carboxamide

C17H17BrN2O — CID 115913894

IUPAC1-(4-aminophenyl)-N-(2-bromo-5-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(Br)c(NC(=O)C2(c3ccc(N)cc3)CC2)c1
InChIInChI=1S/C17H17BrN2O/c1-11-2-7-14(18)15(10-11)20-16(21)17(8-9-17)12-3-5-13(19)6-4-12/h2-7,10H,8-9,19H2,1H3,(H,20,21)
InChIKeyPSSOYHSKAJKOQO-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.01
Rot. Bonds3

About 1-(4-aminophenyl)-N-(2-bromo-5-methylphenyl)cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-(2-bromo-5-methylphenyl)cyclopropane-1-carboxamide (PubChem CID 115913894) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-(2-bromo-5-methylphenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-(2-bromo-5-methylphenyl)cyclopropane-1-carboxamide
PubChem CID115913894
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Name1-(4-aminophenyl)-N-(2-bromo-5-methylphenyl)cyclopropane-1-carboxamide
SMILESCc1ccc(Br)c(NC(=O)C2(c3ccc(N)cc3)CC2)c1
InChIInChI=1S/C17H17BrN2O/c1-11-2-7-14(18)15(10-11)20-16(21)17(8-9-17)12-3-5-13(19)6-4-12/h2-7,10H,8-9,19H2,1H3,(H,20,21)
InChIKeyPSSOYHSKAJKOQO-UHFFFAOYSA-N
XLogP4.01
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.01
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

1-(4-aminophenyl)-N-(2,5-dimethylphenyl)cyclopropane-1-carboxamide
CID 99706775
1-(4-aminophenyl)-N-(2-bromo-5-chlorophenyl)cyclopropane-1-carboxamide
CID 115913859
1-(4-aminophenyl)-N-(5-bromo-2-methylphenyl)cyclopropane-1-carboxamide
CID 115913411
1-amino-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
CID 82757304
1-(4-aminophenyl)-N-(5-methyl-3-pyridinyl)cyclopropane-1-carboxamide
CID 107585399
1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclobutane-1-carboxamide
CID 82756642
1-(4-aminophenyl)-N-(2,6-dimethyl-3-pyridinyl)cyclopropane-1-carboxamide
CID 115913832
1-(aminomethyl)-N-(2-bromo-5-methylphenyl)cyclopentane-1-carboxamide
CID 82757222
1-(4-aminophenyl)-N-(3-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 115913116
N-(2,5-dimethylphenyl)-1-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 113198467
1-(4-aminophenyl)-N-methoxycyclopropane-1-carboxamide
CID 112558390
1-(4-aminophenyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 115913214

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-(2-bromo-5-methylphenyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-(2-bromo-5-methylphenyl)cyclopropane-1-carboxamide (CID 115913894) is 1-(4-aminophenyl)-N-(2-bromo-5-methylphenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-(2-bromo-5-methylphenyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-(2-bromo-5-methylphenyl)cyclopropane-1-carboxamide is Cc1ccc(Br)c(NC(=O)C2(c3ccc(N)cc3)CC2)c1.
What is the InChIKey of 1-(4-aminophenyl)-N-(2-bromo-5-methylphenyl)cyclopropane-1-carboxamide?
The InChIKey is PSSOYHSKAJKOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-11-2-7-14(18)15(10-11)20-16(21)17(8-9-17)12-3-5-13(19)6-4-12/h2-7,10H,8-9,19H2,1H3,(H,20,21).
What are the key properties of 1-(4-aminophenyl)-N-(2-bromo-5-methylphenyl)cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-(2-bromo-5-methylphenyl)cyclopropane-1-carboxamide has a molecular weight of 345.24 g/mol, XLogP of 4.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-(2-bromo-5-methylphenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 115913894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).