1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide

C12H15BrN2O — CID 115189921

IUPAC1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCCc2ccc(Br)cc2)CC1
InChIInChI=1S/C12H15BrN2O/c13-10-3-1-9(2-4-10)5-8-15-11(16)12(14)6-7-12/h1-4H,5-8,14H2,(H,15,16)
InChIKeySZRBEQAVVHIONY-UHFFFAOYSA-N
MW283.17 g/mol
LogP1.60
Rot. Bonds4

About 1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide

1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide (PubChem CID 115189921) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is 1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
PubChem CID115189921
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC Name1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCCc2ccc(Br)cc2)CC1
InChIInChI=1S/C12H15BrN2O/c13-10-3-1-9(2-4-10)5-8-15-11(16)12(14)6-7-12/h1-4H,5-8,14H2,(H,15,16)
InChIKeySZRBEQAVVHIONY-UHFFFAOYSA-N
XLogP1.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-[2-(4-bromophenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119281754
1-amino-N-[2-(4-propylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189931
1-amino-N-[2-(5-bromo-2-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189978
1-amino-N-[2-(4-nitrophenyl)ethyl]cyclopropane-1-carboxamide
CID 65464485
1-amino-N-[2-(4-chlorophenyl)ethyl]cyclobutane-1-carboxamide
CID 81172071
1-amino-N-[2-(4-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 39058425
4-(aminomethyl)-N-[2-(4-bromophenyl)ethyl]oxane-4-carboxamide;hydrochloride
CID 120922301
1-amino-N-[2-(4-ethylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119310374
N-[2-(4-acetamidophenyl)ethyl]-1-aminocyclopentane-1-carboxamide
CID 119307278
1-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 65466544
4-[2-[(4-aminooxane-4-carbonyl)amino]ethyl]benzoic acid
CID 115294524
N-[2-(4-bromophenyl)ethyl]-3-oxobutanamide
CID 115176509

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide (CID 115189921) is 1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide is NC1(C(=O)NCCc2ccc(Br)cc2)CC1.
What is the InChIKey of 1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is SZRBEQAVVHIONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c13-10-3-1-9(2-4-10)5-8-15-11(16)12(14)6-7-12/h1-4H,5-8,14H2,(H,15,16).
What are the key properties of 1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide?
1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 283.17 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(4-bromophenyl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115189921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).