N-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide

C13H19FN2O — CID 43672597

IUPACN-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide
SMILESCCC(CC)Nc1cc(NC(C)=O)ccc1F
InChIInChI=1S/C13H19FN2O/c1-4-10(5-2)16-13-8-11(15-9(3)17)6-7-12(13)14/h6-8,10,16H,4-5H2,1-3H3,(H,15,17)
InChIKeyWYCCLBCLMLZZPD-UHFFFAOYSA-N
MW238.31 g/mol
LogP3.38
Rot. Bonds5

About N-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide

N-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide (PubChem CID 43672597) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is N-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide
PubChem CID43672597
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC NameN-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide
SMILESCCC(CC)Nc1cc(NC(C)=O)ccc1F
InChIInChI=1S/C13H19FN2O/c1-4-10(5-2)16-13-8-11(15-9(3)17)6-7-12(13)14/h6-8,10,16H,4-5H2,1-3H3,(H,15,17)
InChIKeyWYCCLBCLMLZZPD-UHFFFAOYSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide 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

2-(5-acetamido-2-fluoroanilino)butanoic acid
CID 115352424
N-[4-fluoro-3-(hexan-2-ylamino)phenyl]acetamide
CID 43778939
N-[4-fluoro-3-(5-methylhexan-2-ylamino)phenyl]acetamide
CID 43672568
N-[3-[(5-amino-1-methoxypentan-2-yl)amino]-4-fluorophenyl]acetamide
CID 103387932
methyl 2-(3-acetamido-4-fluoroanilino)butanoate
CID 110209270
N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide
CID 113220904
N-[2-methyl-4-(pentan-3-ylamino)phenyl]acetamide
CID 43672883
N-[4-fluoro-3-(propan-2-ylsulfonylamino)phenyl]acetamide
CID 62998747
N-(5-acetamido-2-fluorophenyl)-3-aminopropanamide;hydrochloride
CID 119279495
N-[3-(3,3-dimethylbutylamino)-4-fluorophenyl]acetamide
CID 62966369
(2R)-N-(5-acetamido-2-fluorophenyl)-2-aminopropanamide;hydrochloride
CID 119279500
N-(3-acetamido-4-fluorophenyl)-2-amino-3-methylpentanamide;hydrochloride
CID 119702845

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide?
The IUPAC name of N-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide (CID 43672597) is N-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide.
What is the SMILES notation for N-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide?
The canonical SMILES for N-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide is CCC(CC)Nc1cc(NC(C)=O)ccc1F.
What is the InChIKey of N-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide?
The InChIKey is WYCCLBCLMLZZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-4-10(5-2)16-13-8-11(15-9(3)17)6-7-12(13)14/h6-8,10,16H,4-5H2,1-3H3,(H,15,17).
What are the key properties of N-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide?
N-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide has a molecular weight of 238.31 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(pentan-3-ylamino)phenyl]acetamide is sourced from PubChem (CID 43672597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).