2-amino-N-(4-bromonaphthalen-1-yl)butanamide

C14H15BrN2O — CID 113384503

IUPAC2-amino-N-(4-bromonaphthalen-1-yl)butanamide
SMILESCCC(N)C(=O)Nc1ccc(Br)c2ccccc12
InChIInChI=1S/C14H15BrN2O/c1-2-12(16)14(18)17-13-8-7-11(15)9-5-3-4-6-10(9)13/h3-8,12H,2,16H2,1H3,(H,17,18)
InChIKeyYGKMAZWXWQPSMQ-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.28
Rot. Bonds3

About 2-amino-N-(4-bromonaphthalen-1-yl)butanamide

2-amino-N-(4-bromonaphthalen-1-yl)butanamide (PubChem CID 113384503) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 2-amino-N-(4-bromonaphthalen-1-yl)butanamide.

Molecular Properties

Compound Name2-amino-N-(4-bromonaphthalen-1-yl)butanamide
PubChem CID113384503
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name2-amino-N-(4-bromonaphthalen-1-yl)butanamide
SMILESCCC(N)C(=O)Nc1ccc(Br)c2ccccc12
InChIInChI=1S/C14H15BrN2O/c1-2-12(16)14(18)17-13-8-7-11(15)9-5-3-4-6-10(9)13/h3-8,12H,2,16H2,1H3,(H,17,18)
InChIKeyYGKMAZWXWQPSMQ-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromonaphthalen-1-yl)-2-ethylbutanamide
CID 113384510
2-amino-N-(2-bromophenyl)butanamide
CID 43649425
N-(4-bromonaphthalen-1-yl)-2-phenylpropanamide
CID 2930699
2-amino-N-(3-bromo-2-methylphenyl)butanamide
CID 103794806
(2S)-2-amino-N-(2-bromo-5-fluorophenyl)butanamide
CID 103794714
N-(4-bromonaphthalen-1-yl)-2-cyanopropanamide
CID 113349937
(2S)-2-amino-N-(4-bromo-2-ethylphenyl)butanamide;hydrochloride
CID 119291319
(2S)-2-amino-N-(2-ethoxyphenyl)butanamide
CID 79025438
(2S)-2-amino-N-(2-cyanophenyl)butanamide
CID 79024962
2-amino-N-(5-bromo-2-fluorophenyl)butanamide
CID 43649633
2-amino-N-(2-bromo-6-fluorophenyl)butanamide
CID 107599827
(2S)-2-amino-N-(2-hydroxy-4-methylphenyl)butanamide
CID 97315329

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-bromonaphthalen-1-yl)butanamide?
The IUPAC name of 2-amino-N-(4-bromonaphthalen-1-yl)butanamide (CID 113384503) is 2-amino-N-(4-bromonaphthalen-1-yl)butanamide.
What is the SMILES notation for 2-amino-N-(4-bromonaphthalen-1-yl)butanamide?
The canonical SMILES for 2-amino-N-(4-bromonaphthalen-1-yl)butanamide is CCC(N)C(=O)Nc1ccc(Br)c2ccccc12.
What is the InChIKey of 2-amino-N-(4-bromonaphthalen-1-yl)butanamide?
The InChIKey is YGKMAZWXWQPSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-2-12(16)14(18)17-13-8-7-11(15)9-5-3-4-6-10(9)13/h3-8,12H,2,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-(4-bromonaphthalen-1-yl)butanamide?
2-amino-N-(4-bromonaphthalen-1-yl)butanamide has a molecular weight of 307.19 g/mol, XLogP of 3.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-bromonaphthalen-1-yl)butanamide is sourced from PubChem (CID 113384503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).