N-(1-chloro-4-methylpentan-2-yl)naphthalene-2-carboxamide

C17H20ClNO — CID 114300984

IUPACN-(1-chloro-4-methylpentan-2-yl)naphthalene-2-carboxamide
SMILESCC(C)CC(CCl)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H20ClNO/c1-12(2)9-16(11-18)19-17(20)15-8-7-13-5-3-4-6-14(13)10-15/h3-8,10,12,16H,9,11H2,1-2H3,(H,19,20)
InChIKeyGLLYQJJLEVIJDM-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.22
Rot. Bonds5

About N-(1-chloro-4-methylpentan-2-yl)naphthalene-2-carboxamide

N-(1-chloro-4-methylpentan-2-yl)naphthalene-2-carboxamide (PubChem CID 114300984) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is N-(1-chloro-4-methylpentan-2-yl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-4-methylpentan-2-yl)naphthalene-2-carboxamide
PubChem CID114300984
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC NameN-(1-chloro-4-methylpentan-2-yl)naphthalene-2-carboxamide
SMILESCC(C)CC(CCl)NC(=O)c1ccc2ccccc2c1
InChIInChI=1S/C17H20ClNO/c1-12(2)9-16(11-18)19-17(20)15-8-7-13-5-3-4-6-14(13)10-15/h3-8,10,12,16H,9,11H2,1-2H3,(H,19,20)
InChIKeyGLLYQJJLEVIJDM-UHFFFAOYSA-N
XLogP4.22
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(1-chloro-4-methylpentan-2-yl)naphthalene-2-carboxamide 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

N-(1-chloro-4-methylpentan-2-yl)-3,4-dihydroxybenzamide
CID 107729002
N-(1-chloro-4-methylpentan-2-yl)-3-hydroxy-4-iodobenzamide
CID 114103948
N-[(2R)-1-[[(3S)-2-hydroxyoxolan-3-yl]amino]-4-methylpentan-2-yl]naphthalene-2-carboxamide
CID 67699188
N-(1-chloro-4-methylpentan-2-yl)-3-fluoro-4-methoxybenzamide
CID 114300958
N-(1-bromopropan-2-yl)naphthalene-2-carboxamide
CID 114310701
N-pentan-2-ylnaphthalene-2-carboxamide
CID 15622075
N-(1-chloro-4-methylpentan-2-yl)-2-naphthalen-1-ylacetamide
CID 114300915
N-[(1R)-1-phenylethyl]naphthalene-2-carboxamide
CID 814202
N-(1-chloro-4-methylpentan-2-yl)-2-iodobenzamide
CID 114300843
(2S)-4-methyl-2-[2-(naphthalene-2-carbonyl)hydrazinyl]pentanoic acid
CID 142659232
3-hydroxy-2-(naphthalene-2-carbonylamino)butanoic acid
CID 16777702
(2R)-2-amino-4-methyl-1-naphthalen-2-ylpentan-1-one
CID 102464315

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-4-methylpentan-2-yl)naphthalene-2-carboxamide?
The IUPAC name of N-(1-chloro-4-methylpentan-2-yl)naphthalene-2-carboxamide (CID 114300984) is N-(1-chloro-4-methylpentan-2-yl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(1-chloro-4-methylpentan-2-yl)naphthalene-2-carboxamide?
The canonical SMILES for N-(1-chloro-4-methylpentan-2-yl)naphthalene-2-carboxamide is CC(C)CC(CCl)NC(=O)c1ccc2ccccc2c1.
What is the InChIKey of N-(1-chloro-4-methylpentan-2-yl)naphthalene-2-carboxamide?
The InChIKey is GLLYQJJLEVIJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-12(2)9-16(11-18)19-17(20)15-8-7-13-5-3-4-6-14(13)10-15/h3-8,10,12,16H,9,11H2,1-2H3,(H,19,20).
What are the key properties of N-(1-chloro-4-methylpentan-2-yl)naphthalene-2-carboxamide?
N-(1-chloro-4-methylpentan-2-yl)naphthalene-2-carboxamide has a molecular weight of 289.81 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-4-methylpentan-2-yl)naphthalene-2-carboxamide is sourced from PubChem (CID 114300984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).