2-[(4-bromo-3-chlorophenyl)methylamino]-N-cyclopropylacetamide

C12H14BrClN2O — CID 103581537

IUPAC2-[(4-bromo-3-chlorophenyl)methylamino]-N-cyclopropylacetamide
SMILESO=C(CNCc1ccc(Br)c(Cl)c1)NC1CC1
InChIInChI=1S/C12H14BrClN2O/c13-10-4-1-8(5-11(10)14)6-15-7-12(17)16-9-2-3-9/h1,4-5,9,15H,2-3,6-7H2,(H,16,17)
InChIKeyIXYWYHKLXRNOPX-UHFFFAOYSA-N
MW317.61 g/mol
LogP2.47
Rot. Bonds5

About 2-[(4-bromo-3-chlorophenyl)methylamino]-N-cyclopropylacetamide

2-[(4-bromo-3-chlorophenyl)methylamino]-N-cyclopropylacetamide (PubChem CID 103581537) has the molecular formula C12H14BrClN2O and a molecular weight of 317.61 g/mol. Its IUPAC name is 2-[(4-bromo-3-chlorophenyl)methylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[(4-bromo-3-chlorophenyl)methylamino]-N-cyclopropylacetamide
PubChem CID103581537
Molecular FormulaC12H14BrClN2O
Molecular Weight317.61 g/mol
Exact Mass316.00
IUPAC Name2-[(4-bromo-3-chlorophenyl)methylamino]-N-cyclopropylacetamide
SMILESO=C(CNCc1ccc(Br)c(Cl)c1)NC1CC1
InChIInChI=1S/C12H14BrClN2O/c13-10-4-1-8(5-11(10)14)6-15-7-12(17)16-9-2-3-9/h1,4-5,9,15H,2-3,6-7H2,(H,16,17)
InChIKeyIXYWYHKLXRNOPX-UHFFFAOYSA-N
XLogP2.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.61
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclohexylacetamide
CID 62537472
N-cyclopropyl-2-[(3,4-dimethylphenyl)methylamino]acetamide
CID 43434265
2-[(4-bromo-3-chlorophenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 103581539
N-benzyl-2-[(4-bromo-3-chlorophenyl)methylamino]acetamide
CID 103581561
2-[(4-bromophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63099192
2-[(4-chlorophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63099718
N-cyclopropyl-2-[(4-iodophenyl)methylamino]acetamide
CID 65477363
3-[[2-(4-bromo-3-chlorophenyl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 146133148
N-cyclopropyl-2-[(2,3,6-trichlorophenyl)methylamino]acetamide
CID 43434263
N-cyclopropyl-2-(3,4-dichlorophenyl)acetamide
CID 2682748
3-[[[2-(cyclopropylamino)-2-oxoethyl]amino]methyl]benzoic acid
CID 103239145
N-cyclopropyl-2-[(4-hydroxy-3-methoxyphenyl)methylamino]acetamide
CID 43329464

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-3-chlorophenyl)methylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[(4-bromo-3-chlorophenyl)methylamino]-N-cyclopropylacetamide (CID 103581537) is 2-[(4-bromo-3-chlorophenyl)methylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[(4-bromo-3-chlorophenyl)methylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[(4-bromo-3-chlorophenyl)methylamino]-N-cyclopropylacetamide is O=C(CNCc1ccc(Br)c(Cl)c1)NC1CC1.
What is the InChIKey of 2-[(4-bromo-3-chlorophenyl)methylamino]-N-cyclopropylacetamide?
The InChIKey is IXYWYHKLXRNOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClN2O/c13-10-4-1-8(5-11(10)14)6-15-7-12(17)16-9-2-3-9/h1,4-5,9,15H,2-3,6-7H2,(H,16,17).
What are the key properties of 2-[(4-bromo-3-chlorophenyl)methylamino]-N-cyclopropylacetamide?
2-[(4-bromo-3-chlorophenyl)methylamino]-N-cyclopropylacetamide has a molecular weight of 317.61 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-3-chlorophenyl)methylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 103581537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).