2-amino-N-(2-bromophenyl)butanamide

C10H13BrN2O — CID 43649425

IUPAC2-amino-N-(2-bromophenyl)butanamide
SMILESCCC(N)C(=O)Nc1ccccc1Br
InChIInChI=1S/C10H13BrN2O/c1-2-8(12)10(14)13-9-6-4-3-5-7(9)11/h3-6,8H,2,12H2,1H3,(H,13,14)
InChIKeyKFDKYLNZYDCEJN-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.12
Rot. Bonds3

About 2-amino-N-(2-bromophenyl)butanamide

2-amino-N-(2-bromophenyl)butanamide (PubChem CID 43649425) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 2-amino-N-(2-bromophenyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(2-bromophenyl)butanamide
PubChem CID43649425
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name2-amino-N-(2-bromophenyl)butanamide
SMILESCCC(N)C(=O)Nc1ccccc1Br
InChIInChI=1S/C10H13BrN2O/c1-2-8(12)10(14)13-9-6-4-3-5-7(9)11/h3-6,8H,2,12H2,1H3,(H,13,14)
InChIKeyKFDKYLNZYDCEJN-UHFFFAOYSA-N
XLogP2.12
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(3-bromo-2-methylphenyl)butanamide
CID 103794806
2-amino-N-(4-bromonaphthalen-1-yl)butanamide
CID 113384503
(2S)-2-amino-N-(2-bromophenyl)propanamide
CID 22690580
(2R)-2-amino-N-(2-bromophenyl)-4-methylsulfanylbutanamide
CID 104906820
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide
CID 103794714
N-(2-bromophenyl)-2-propylpentanamide
CID 115532233
1-(2-bromophenyl)-3-pentan-3-ylurea
CID 108888381
(2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide
CID 61148878
(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
CID 79025438
(2S)-2-amino-N-(2-cyanophenyl)butanamide
CID 79024962
2-amino-N-(2-bromo-6-fluorophenyl)butanamide
CID 107599827
2-amino-N-[(1S)-1-(2-bromophenyl)ethyl]butanamide
CID 81397158

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-bromophenyl)butanamide?
The IUPAC name of 2-amino-N-(2-bromophenyl)butanamide (CID 43649425) is 2-amino-N-(2-bromophenyl)butanamide.
What is the SMILES notation for 2-amino-N-(2-bromophenyl)butanamide?
The canonical SMILES for 2-amino-N-(2-bromophenyl)butanamide is CCC(N)C(=O)Nc1ccccc1Br.
What is the InChIKey of 2-amino-N-(2-bromophenyl)butanamide?
The InChIKey is KFDKYLNZYDCEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c1-2-8(12)10(14)13-9-6-4-3-5-7(9)11/h3-6,8H,2,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-N-(2-bromophenyl)butanamide?
2-amino-N-(2-bromophenyl)butanamide has a molecular weight of 257.13 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-bromophenyl)butanamide is sourced from PubChem (CID 43649425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).