N-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide

C17H21FN2O — CID 106153058

IUPACN-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide
SMILESCC(CN)CCCNC(=O)c1ccc(F)c2ccccc12
InChIInChI=1S/C17H21FN2O/c1-12(11-19)5-4-10-20-17(21)15-8-9-16(18)14-7-3-2-6-13(14)15/h2-3,6-9,12H,4-5,10-11,19H2,1H3,(H,20,21)
InChIKeyYUQRTABJWNSSLV-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.08
Rot. Bonds6

About N-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide

N-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide (PubChem CID 106153058) has the molecular formula C17H21FN2O and a molecular weight of 288.37 g/mol. Its IUPAC name is N-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide
PubChem CID106153058
Molecular FormulaC17H21FN2O
Molecular Weight288.37 g/mol
Exact Mass288.16
IUPAC NameN-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide
SMILESCC(CN)CCCNC(=O)c1ccc(F)c2ccccc12
InChIInChI=1S/C17H21FN2O/c1-12(11-19)5-4-10-20-17(21)15-8-9-16(18)14-7-3-2-6-13(14)15/h2-3,6-9,12H,4-5,10-11,19H2,1H3,(H,20,21)
InChIKeyYUQRTABJWNSSLV-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-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-(5-amino-4-methylpentyl)-2,4-difluorobenzamide
CID 106152842
4-fluoro-N-pentylnaphthalene-1-carboxamide
CID 114088205
N-(3-amino-4-methoxybutyl)-4-fluoronaphthalene-1-carboxamide
CID 106243052
4-fluoro-N-(2-methylbutyl)naphthalene-1-carboxamide
CID 114088224
N-(5-amino-4-methylpentyl)-2-(trifluoromethyl)benzamide
CID 106152852
N-(5-amino-4-methylpentyl)-2-(2,6-difluorophenyl)acetamide
CID 106152815
N-(4-chloropentyl)-2,3,4-trifluorobenzamide
CID 106129404
N-(5-amino-4-methylpentyl)-2-naphthalen-1-ylacetamide
CID 106152740
2-fluoro-N-(4-methylpentyl)benzamide
CID 60738338
N-(5-amino-4-methylpentyl)-2,3,4,5,6-pentafluorobenzamide
CID 106153328
4-fluoro-N-(2-hydroxybutyl)naphthalene-1-carboxamide
CID 114088238
N-(5-amino-4-methylpentyl)-3-fluoro-5-methylbenzamide
CID 106153590

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide?
The IUPAC name of N-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide (CID 106153058) is N-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide.
What is the SMILES notation for N-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide?
The canonical SMILES for N-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide is CC(CN)CCCNC(=O)c1ccc(F)c2ccccc12.
What is the InChIKey of N-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide?
The InChIKey is YUQRTABJWNSSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O/c1-12(11-19)5-4-10-20-17(21)15-8-9-16(18)14-7-3-2-6-13(14)15/h2-3,6-9,12H,4-5,10-11,19H2,1H3,(H,20,21).
What are the key properties of N-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide?
N-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide has a molecular weight of 288.37 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-4-methylpentyl)-4-fluoronaphthalene-1-carboxamide is sourced from PubChem (CID 106153058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).