4-amino-N-[5-fluoro-2-(phenylcarbamoylamino)phenyl]butanamide

C17H19FN4O2 — CID 39192900

IUPAC4-amino-N-[5-fluoro-2-(phenylcarbamoylamino)phenyl]butanamide
SMILESNCCCC(=O)Nc1cc(F)ccc1NC(=O)Nc1ccccc1
InChIInChI=1S/C17H19FN4O2/c18-12-8-9-14(15(11-12)21-16(23)7-4-10-19)22-17(24)20-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,19H2,(H,21,23)(H2,20,22,24)
InChIKeyRJSGDFZTPAOFTR-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.15
Rot. Bonds6

About 4-amino-N-[5-fluoro-2-(phenylcarbamoylamino)phenyl]butanamide

4-amino-N-[5-fluoro-2-(phenylcarbamoylamino)phenyl]butanamide (PubChem CID 39192900) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 4-amino-N-[5-fluoro-2-(phenylcarbamoylamino)phenyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[5-fluoro-2-(phenylcarbamoylamino)phenyl]butanamide
PubChem CID39192900
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name4-amino-N-[5-fluoro-2-(phenylcarbamoylamino)phenyl]butanamide
SMILESNCCCC(=O)Nc1cc(F)ccc1NC(=O)Nc1ccccc1
InChIInChI=1S/C17H19FN4O2/c18-12-8-9-14(15(11-12)21-16(23)7-4-10-19)22-17(24)20-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,19H2,(H,21,23)(H2,20,22,24)
InChIKeyRJSGDFZTPAOFTR-UHFFFAOYSA-N
XLogP3.15
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-[5-fluoro-2-(phenylcarbamoylamino)phenyl]butanamide 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-[5-fluoro-2-[(2-phenylacetyl)amino]phenyl]propanamide
CID 92944450
4-amino-N-(2,4-difluorophenyl)butanamide;hydrochloride
CID 119262959
4-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]butanamide
CID 119873547
4-amino-N-(5-fluoro-2-methylphenyl)butanamide;hydrochloride
CID 119263253
N-[2-(7-aminoheptanoylamino)-4-fluorophenyl]pyridine-2-carboxamide;dihydrochloride
CID 119844812
N-[2-(4-aminobutanoylamino)phenyl]-4-fluorobenzamide
CID 39192988
2-(6-aminohexanoylamino)-5-fluorobenzoic acid
CID 61157607
N-[2-(3-aminopropanoylamino)-4-fluorophenyl]-2,2-dimethylpropanamide
CID 82034298
7-amino-N-[4-fluoro-2-(propan-2-ylamino)phenyl]heptanamide
CID 119873503
N-[2-[(2-aminoacetyl)amino]-4-fluorophenyl]-3-phenoxypropanamide
CID 39183994
N-[2-(3-aminopropanoylamino)-4-fluorophenyl]cyclopropanecarboxamide
CID 82034301
2-(3-aminopropanoylamino)-4-fluorobenzoic acid
CID 61157930

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[5-fluoro-2-(phenylcarbamoylamino)phenyl]butanamide?
The IUPAC name of 4-amino-N-[5-fluoro-2-(phenylcarbamoylamino)phenyl]butanamide (CID 39192900) is 4-amino-N-[5-fluoro-2-(phenylcarbamoylamino)phenyl]butanamide.
What is the SMILES notation for 4-amino-N-[5-fluoro-2-(phenylcarbamoylamino)phenyl]butanamide?
The canonical SMILES for 4-amino-N-[5-fluoro-2-(phenylcarbamoylamino)phenyl]butanamide is NCCCC(=O)Nc1cc(F)ccc1NC(=O)Nc1ccccc1.
What is the InChIKey of 4-amino-N-[5-fluoro-2-(phenylcarbamoylamino)phenyl]butanamide?
The InChIKey is RJSGDFZTPAOFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c18-12-8-9-14(15(11-12)21-16(23)7-4-10-19)22-17(24)20-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,19H2,(H,21,23)(H2,20,22,24).
What are the key properties of 4-amino-N-[5-fluoro-2-(phenylcarbamoylamino)phenyl]butanamide?
4-amino-N-[5-fluoro-2-(phenylcarbamoylamino)phenyl]butanamide has a molecular weight of 330.36 g/mol, XLogP of 3.15, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[5-fluoro-2-(phenylcarbamoylamino)phenyl]butanamide is sourced from PubChem (CID 39192900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).