3-amino-4-fluoro-N-(6-methylheptan-2-yl)benzamide

C15H23FN2O — CID 61111337

IUPAC3-amino-4-fluoro-N-(6-methylheptan-2-yl)benzamide
SMILESCC(C)CCCC(C)NC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C15H23FN2O/c1-10(2)5-4-6-11(3)18-15(19)12-7-8-13(16)14(17)9-12/h7-11H,4-6,17H2,1-3H3,(H,18,19)
InChIKeyKXKVLHMJRPSRPT-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.35
Rot. Bonds6

About 3-amino-4-fluoro-N-(6-methylheptan-2-yl)benzamide

3-amino-4-fluoro-N-(6-methylheptan-2-yl)benzamide (PubChem CID 61111337) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 3-amino-4-fluoro-N-(6-methylheptan-2-yl)benzamide.

Molecular Properties

Compound Name3-amino-4-fluoro-N-(6-methylheptan-2-yl)benzamide
PubChem CID61111337
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name3-amino-4-fluoro-N-(6-methylheptan-2-yl)benzamide
SMILESCC(C)CCCC(C)NC(=O)c1ccc(F)c(N)c1
InChIInChI=1S/C15H23FN2O/c1-10(2)5-4-6-11(3)18-15(19)12-7-8-13(16)14(17)9-12/h7-11H,4-6,17H2,1-3H3,(H,18,19)
InChIKeyKXKVLHMJRPSRPT-UHFFFAOYSA-N
XLogP3.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-amino-4-fluoro-N-(6-methylheptan-2-yl)benzamide 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

3-amino-N-[1-(dimethylamino)propan-2-yl]-4-fluorobenzamide
CID 82945495
4-amino-3-fluoro-N-(4-hydroxybutan-2-yl)benzamide
CID 83176506
3-amino-4-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 39359588
6-amino-N-(6-methylheptan-2-yl)pyridine-3-carboxamide
CID 62073113
N-(6-methylheptan-2-yl)-4-sulfanylbenzamide
CID 107025136
3-amino-4-fluoro-N-hex-1-yn-3-ylbenzamide
CID 106223471
6-[(3-fluoro-4-methylbenzoyl)amino]-2-methylheptanoic acid
CID 65285580
3-amino-4-fluoro-N-(1-imidazol-1-ylpropan-2-yl)benzamide
CID 61479380
3-carbamothioyl-N-(6-methylheptan-2-yl)benzamide
CID 61470968
3-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-4-fluorobenzamide
CID 103106395
3-amino-4-fluorobenzohydrazide;hydrochloride
CID 131133629
2,6-difluoro-N-(6-methylheptan-2-yl)benzamide
CID 78789460

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-N-(6-methylheptan-2-yl)benzamide?
The IUPAC name of 3-amino-4-fluoro-N-(6-methylheptan-2-yl)benzamide (CID 61111337) is 3-amino-4-fluoro-N-(6-methylheptan-2-yl)benzamide.
What is the SMILES notation for 3-amino-4-fluoro-N-(6-methylheptan-2-yl)benzamide?
The canonical SMILES for 3-amino-4-fluoro-N-(6-methylheptan-2-yl)benzamide is CC(C)CCCC(C)NC(=O)c1ccc(F)c(N)c1.
What is the InChIKey of 3-amino-4-fluoro-N-(6-methylheptan-2-yl)benzamide?
The InChIKey is KXKVLHMJRPSRPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-10(2)5-4-6-11(3)18-15(19)12-7-8-13(16)14(17)9-12/h7-11H,4-6,17H2,1-3H3,(H,18,19).
What are the key properties of 3-amino-4-fluoro-N-(6-methylheptan-2-yl)benzamide?
3-amino-4-fluoro-N-(6-methylheptan-2-yl)benzamide has a molecular weight of 266.36 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-N-(6-methylheptan-2-yl)benzamide is sourced from PubChem (CID 61111337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).