2-amino-3-(2-bromophenyl)propanamide

C9H11BrN2O — CID 15926062

IUPAC2-amino-3-(2-bromophenyl)propanamide
SMILESNC(=O)C(N)Cc1ccccc1Br
InChIInChI=1S/C9H11BrN2O/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H2,12,13)
InChIKeyLJKGABAVUJWWGG-UHFFFAOYSA-N
MW243.10 g/mol
LogP0.80
Rot. Bonds3

About 2-amino-3-(2-bromophenyl)propanamide

2-amino-3-(2-bromophenyl)propanamide (PubChem CID 15926062) has the molecular formula C9H11BrN2O and a molecular weight of 243.10 g/mol. Its IUPAC name is 2-amino-3-(2-bromophenyl)propanamide.

Molecular Properties

Compound Name2-amino-3-(2-bromophenyl)propanamide
PubChem CID15926062
Molecular FormulaC9H11BrN2O
Molecular Weight243.10 g/mol
Exact Mass242.01
IUPAC Name2-amino-3-(2-bromophenyl)propanamide
SMILESNC(=O)C(N)Cc1ccccc1Br
InChIInChI=1S/C9H11BrN2O/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H2,12,13)
InChIKeyLJKGABAVUJWWGG-UHFFFAOYSA-N
XLogP0.80
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
(2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride
CID 51358157
ethyl 2-amino-3-(2-bromophenyl)propanoate
CID 3302448
benzyl 2-amino-3-(2-bromophenyl)propanoate
CID 23133270
2-amino-3-(3-bromo-2-pyridinyl)propanamide
CID 130575756
2-amino-3-(2-nitrophenyl)propanamide
CID 64990482
2-amino-3-(2,3-dibromophenyl)propanoic acid
CID 22326254
(3S)-3-[[(2R)-1-(2-bromophenyl)propan-2-yl]amino]butanamide
CID 97102943
2-amino-3-[(2-bromophenyl)methylsulfanyl]propanoic acid
CID 24698640
(2S)-2-amino-3-(2-oxo-1H-pyridin-3-yl)propanamide;hydrochloride
CID 171108500
2-amino-5-(2-bromophenyl)pentanoic acid
CID 83664407
2-(2-bromophenyl)acetyl bromide
CID 87290551

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-bromophenyl)propanamide?
The IUPAC name of 2-amino-3-(2-bromophenyl)propanamide (CID 15926062) is 2-amino-3-(2-bromophenyl)propanamide.
What is the SMILES notation for 2-amino-3-(2-bromophenyl)propanamide?
The canonical SMILES for 2-amino-3-(2-bromophenyl)propanamide is NC(=O)C(N)Cc1ccccc1Br.
What is the InChIKey of 2-amino-3-(2-bromophenyl)propanamide?
The InChIKey is LJKGABAVUJWWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN2O/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H2,12,13).
What are the key properties of 2-amino-3-(2-bromophenyl)propanamide?
2-amino-3-(2-bromophenyl)propanamide has a molecular weight of 243.10 g/mol, XLogP of 0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-bromophenyl)propanamide is sourced from PubChem (CID 15926062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).