2-[(2-bromo-4-chlorophenyl)methylamino]propanamide

C10H12BrClN2O — CID 81495277

IUPAC2-[(2-bromo-4-chlorophenyl)methylamino]propanamide
SMILESCC(NCc1ccc(Cl)cc1Br)C(N)=O
InChIInChI=1S/C10H12BrClN2O/c1-6(10(13)15)14-5-7-2-3-8(12)4-9(7)11/h2-4,6,14H,5H2,1H3,(H2,13,15)
InChIKeyWBVWRTCUKCPIGV-UHFFFAOYSA-N
MW291.58 g/mol
LogP2.07
Rot. Bonds4

About 2-[(2-bromo-4-chlorophenyl)methylamino]propanamide

2-[(2-bromo-4-chlorophenyl)methylamino]propanamide (PubChem CID 81495277) has the molecular formula C10H12BrClN2O and a molecular weight of 291.58 g/mol. Its IUPAC name is 2-[(2-bromo-4-chlorophenyl)methylamino]propanamide.

Molecular Properties

Compound Name2-[(2-bromo-4-chlorophenyl)methylamino]propanamide
PubChem CID81495277
Molecular FormulaC10H12BrClN2O
Molecular Weight291.58 g/mol
Exact Mass289.98
IUPAC Name2-[(2-bromo-4-chlorophenyl)methylamino]propanamide
SMILESCC(NCc1ccc(Cl)cc1Br)C(N)=O
InChIInChI=1S/C10H12BrClN2O/c1-6(10(13)15)14-5-7-2-3-8(12)4-9(7)11/h2-4,6,14H,5H2,1H3,(H2,13,15)
InChIKeyWBVWRTCUKCPIGV-UHFFFAOYSA-N
XLogP2.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.58
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-bromo-4-fluorophenyl)methylamino]propanamide
CID 43430625
2-[(2-bromo-4-chlorophenyl)methylamino]-N-propylpropanamide
CID 81495089
(2S)-2-[(2-bromo-4-chlorophenyl)methylamino]-4-methylpentanoic acid
CID 120510811
(2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide
CID 103992341
(3R)-3-[(2-bromo-4-chlorophenyl)methylamino]butan-1-ol
CID 103854651
methyl (2S)-2-[(4-chloro-2-fluorophenyl)methylamino]propanoate
CID 104979957
2-[(2-bromo-4-chlorophenyl)methylamino]oxyacetamide
CID 112672620
N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-chlorobenzamide
CID 103763560
(2S)-2-[(2-bromo-4-chlorophenyl)methylamino]hexanoic acid
CID 120511592
(2S)-2-[[4-(4-chlorophenyl)phenyl]methylamino]propanamide
CID 121266437
2-(2-bromo-5-chloroanilino)propanamide
CID 81281042
N-[(2-bromo-4-chlorophenyl)methyl]ethanamine
CID 81497013

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-4-chlorophenyl)methylamino]propanamide?
The IUPAC name of 2-[(2-bromo-4-chlorophenyl)methylamino]propanamide (CID 81495277) is 2-[(2-bromo-4-chlorophenyl)methylamino]propanamide.
What is the SMILES notation for 2-[(2-bromo-4-chlorophenyl)methylamino]propanamide?
The canonical SMILES for 2-[(2-bromo-4-chlorophenyl)methylamino]propanamide is CC(NCc1ccc(Cl)cc1Br)C(N)=O.
What is the InChIKey of 2-[(2-bromo-4-chlorophenyl)methylamino]propanamide?
The InChIKey is WBVWRTCUKCPIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrClN2O/c1-6(10(13)15)14-5-7-2-3-8(12)4-9(7)11/h2-4,6,14H,5H2,1H3,(H2,13,15).
What are the key properties of 2-[(2-bromo-4-chlorophenyl)methylamino]propanamide?
2-[(2-bromo-4-chlorophenyl)methylamino]propanamide has a molecular weight of 291.58 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-4-chlorophenyl)methylamino]propanamide is sourced from PubChem (CID 81495277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).