2-bromo-N-(naphthalen-1-ylmethylideneamino)propanamide

C14H13BrN2O — CID 5046667

IUPAC2-bromo-N-(naphthalen-1-ylmethylideneamino)propanamide
SMILESCC(Br)C(=O)NN=Cc1cccc2ccccc12
InChIInChI=1S/C14H13BrN2O/c1-10(15)14(18)17-16-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-10H,1H3,(H,17,18)
InChIKeyILXZXXYXVFZRLM-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.07
Rot. Bonds3

About 2-bromo-N-(naphthalen-1-ylmethylideneamino)propanamide

2-bromo-N-(naphthalen-1-ylmethylideneamino)propanamide (PubChem CID 5046667) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 2-bromo-N-(naphthalen-1-ylmethylideneamino)propanamide.

Molecular Properties

Compound Name2-bromo-N-(naphthalen-1-ylmethylideneamino)propanamide
PubChem CID5046667
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name2-bromo-N-(naphthalen-1-ylmethylideneamino)propanamide
SMILESCC(Br)C(=O)NN=Cc1cccc2ccccc12
InChIInChI=1S/C14H13BrN2O/c1-10(15)14(18)17-16-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-10H,1H3,(H,17,18)
InChIKeyILXZXXYXVFZRLM-UHFFFAOYSA-N
XLogP3.07
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-bromo-N-(naphthalen-1-ylmethylideneamino)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(4-methylphenyl)sulfanyl-N-[(Z)-naphthalen-1-ylmethylideneamino]propanamide
CID 126147149
N-[(E)-naphthalen-1-ylmethylideneamino]-N'-[(Z)-naphthalen-1-ylmethylideneamino]butanediamide
CID 92959506
N-(2-methylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide
CID 46741717
(2S)-2-(4-chlorophenoxy)-N-(naphthalen-1-ylmethylideneamino)propanamide
CID 1239974
N-(4-methoxyphenyl)-2-methyl-N'-(naphthalen-1-ylmethylideneamino)propanediamide
CID 5244598
N-[(Z)-naphthalen-1-ylmethylideneamino]benzamide
CID 5397614
2-chloro-N-[3-methyl-1-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 3411659
4-fluoro-N-[3-methyl-1-[2-(naphthalen-1-ylmethylidene)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 3537718
ethyl N-[(Z)-naphthalen-1-ylmethylideneamino]carbamate
CID 5399199
N-[(Z)-naphthalen-1-ylmethylideneamino]-2-phenylacetamide
CID 5407611
1,3-bis(naphthalen-1-ylmethylideneamino)thiourea
CID 5196948
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 56694783

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(naphthalen-1-ylmethylideneamino)propanamide?
The IUPAC name of 2-bromo-N-(naphthalen-1-ylmethylideneamino)propanamide (CID 5046667) is 2-bromo-N-(naphthalen-1-ylmethylideneamino)propanamide.
What is the SMILES notation for 2-bromo-N-(naphthalen-1-ylmethylideneamino)propanamide?
The canonical SMILES for 2-bromo-N-(naphthalen-1-ylmethylideneamino)propanamide is CC(Br)C(=O)NN=Cc1cccc2ccccc12.
What is the InChIKey of 2-bromo-N-(naphthalen-1-ylmethylideneamino)propanamide?
The InChIKey is ILXZXXYXVFZRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-10(15)14(18)17-16-9-12-7-4-6-11-5-2-3-8-13(11)12/h2-10H,1H3,(H,17,18).
What are the key properties of 2-bromo-N-(naphthalen-1-ylmethylideneamino)propanamide?
2-bromo-N-(naphthalen-1-ylmethylideneamino)propanamide has a molecular weight of 305.18 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(naphthalen-1-ylmethylideneamino)propanamide is sourced from PubChem (CID 5046667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).