2-[(4-bromophenyl)methylamino]propanamide

C10H13BrN2O — CID 43402314

IUPAC2-[(4-bromophenyl)methylamino]propanamide
SMILESCC(NCc1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C10H13BrN2O/c1-7(10(12)14)13-6-8-2-4-9(11)5-3-8/h2-5,7,13H,6H2,1H3,(H2,12,14)
InChIKeyVLVSZKLLMVJVEV-UHFFFAOYSA-N
MW257.13 g/mol
LogP1.41
Rot. Bonds4

About 2-[(4-bromophenyl)methylamino]propanamide

2-[(4-bromophenyl)methylamino]propanamide (PubChem CID 43402314) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methylamino]propanamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methylamino]propanamide
PubChem CID43402314
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name2-[(4-bromophenyl)methylamino]propanamide
SMILESCC(NCc1ccc(Br)cc1)C(N)=O
InChIInChI=1S/C10H13BrN2O/c1-7(10(12)14)13-6-8-2-4-9(11)5-3-8/h2-5,7,13H,6H2,1H3,(H2,12,14)
InChIKeyVLVSZKLLMVJVEV-UHFFFAOYSA-N
XLogP1.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-bromophenyl)methylamino]-3,3-dimethylbutanamide
CID 119124787
2-[(4-bromo-3-methylphenyl)methylamino]propanamide
CID 66474598
(2S)-2-[[4-(4-chlorophenyl)phenyl]methylamino]propanamide
CID 121266437
2-[(4-nitrophenyl)methylamino]propanamide
CID 43402378
(2S)-2-[(4-bromo-2-methylphenyl)methylamino]propanamide
CID 103992341
(2S)-2-[[4-(2-amino-2-oxoethoxy)phenyl]methylamino]propanamide
CID 39756608
2-[(4-bromophenyl)methylamino]-N-ethyl-N-methylpropanamide
CID 103107208
methyl 2-[(4-methylphenyl)methylamino]propanoate
CID 19362169
4-[[1-(4-bromophenyl)propan-2-ylamino]methyl]benzamide
CID 43783642
2-[[2-(4-bromoanilino)-2-oxoethyl]amino]propanamide
CID 43545551
(2R)-2-[(4-pentoxyphenyl)methylamino]propanamide
CID 93037212
(2S)-2-[[4-(cyclopropylmethoxy)phenyl]methylamino]propanamide
CID 10490793

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methylamino]propanamide?
The IUPAC name of 2-[(4-bromophenyl)methylamino]propanamide (CID 43402314) is 2-[(4-bromophenyl)methylamino]propanamide.
What is the SMILES notation for 2-[(4-bromophenyl)methylamino]propanamide?
The canonical SMILES for 2-[(4-bromophenyl)methylamino]propanamide is CC(NCc1ccc(Br)cc1)C(N)=O.
What is the InChIKey of 2-[(4-bromophenyl)methylamino]propanamide?
The InChIKey is VLVSZKLLMVJVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-7(10(12)14)13-6-8-2-4-9(11)5-3-8/h2-5,7,13H,6H2,1H3,(H2,12,14).
What are the key properties of 2-[(4-bromophenyl)methylamino]propanamide?
2-[(4-bromophenyl)methylamino]propanamide has a molecular weight of 257.13 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methylamino]propanamide is sourced from PubChem (CID 43402314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).