3-[[2-fluoro-5-(propanoylamino)phenyl]carbamoyl-methylamino]-N-methylbutanamide

C16H23FN4O3 — CID 118769740

IUPAC3-[[2-fluoro-5-(propanoylamino)phenyl]carbamoyl-methylamino]-N-methylbutanamide
SMILESCCC(=O)Nc1ccc(F)c(NC(=O)N(C)C(C)CC(=O)NC)c1
InChIInChI=1S/C16H23FN4O3/c1-5-14(22)19-11-6-7-12(17)13(9-11)20-16(24)21(4)10(2)8-15(23)18-3/h6-7,9-10H,5,8H2,1-4H3,(H,18,23)(H,19,22)(H,20,24)
InChIKeyBQWMIHFUPIKDJH-UHFFFAOYSA-N
MW338.38 g/mol
LogP2.16
Rot. Bonds6

About 3-[[2-fluoro-5-(propanoylamino)phenyl]carbamoyl-methylamino]-N-methylbutanamide

3-[[2-fluoro-5-(propanoylamino)phenyl]carbamoyl-methylamino]-N-methylbutanamide (PubChem CID 118769740) has the molecular formula C16H23FN4O3 and a molecular weight of 338.38 g/mol. Its IUPAC name is 3-[[2-fluoro-5-(propanoylamino)phenyl]carbamoyl-methylamino]-N-methylbutanamide.

Molecular Properties

Compound Name3-[[2-fluoro-5-(propanoylamino)phenyl]carbamoyl-methylamino]-N-methylbutanamide
PubChem CID118769740
Molecular FormulaC16H23FN4O3
Molecular Weight338.38 g/mol
Exact Mass338.18
IUPAC Name3-[[2-fluoro-5-(propanoylamino)phenyl]carbamoyl-methylamino]-N-methylbutanamide
SMILESCCC(=O)Nc1ccc(F)c(NC(=O)N(C)C(C)CC(=O)NC)c1
InChIInChI=1S/C16H23FN4O3/c1-5-14(22)19-11-6-7-12(17)13(9-11)20-16(24)21(4)10(2)8-15(23)18-3/h6-7,9-10H,5,8H2,1-4H3,(H,18,23)(H,19,22)(H,20,24)
InChIKeyBQWMIHFUPIKDJH-UHFFFAOYSA-N
XLogP2.16
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[2-fluoro-5-(propanoylamino)phenyl]carbamoyl-methylamino]-N-methylbutanamide 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

4-fluoro-3-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]benzoic acid
CID 113426143
N-(3,4-difluorophenyl)propanamide
CID 4285365
(3S)-3-[(2-ethylsulfanylphenyl)carbamoyl-methylamino]-N-methylbutanamide
CID 125177880
(3R)-3-[1,3-benzothiazol-5-ylcarbamoyl(methyl)amino]-N-methylbutanamide
CID 125167132
3-[[butan-2-yl(methyl)carbamoyl]amino]-4-fluorobenzoic acid
CID 61196804
3-(2-fluoro-5-pyrrol-1-ylphenyl)-1-(1-hydroxypropan-2-yl)-1-methylurea
CID 110010393
N-[3-[[ethyl-[(3S,4R)-4-hydroxyoxolan-3-yl]carbamoyl]amino]-4-fluorophenyl]propanamide
CID 72931622
5-[[butan-2-yl(methyl)carbamoyl]amino]-2-fluorobenzoic acid
CID 61196807
N-(3-acetamido-4-fluorophenyl)-2-(methylamino)acetamide
CID 54862243
N-[3-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoylamino]-4-fluorophenyl]propanamide
CID 118780681
N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 849199
2-[(5-acetamido-2-fluorophenyl)carbamoyl-methylamino]-N-tert-butylacetamide
CID 86988353

Frequently Asked Questions

What is the IUPAC name of 3-[[2-fluoro-5-(propanoylamino)phenyl]carbamoyl-methylamino]-N-methylbutanamide?
The IUPAC name of 3-[[2-fluoro-5-(propanoylamino)phenyl]carbamoyl-methylamino]-N-methylbutanamide (CID 118769740) is 3-[[2-fluoro-5-(propanoylamino)phenyl]carbamoyl-methylamino]-N-methylbutanamide.
What is the SMILES notation for 3-[[2-fluoro-5-(propanoylamino)phenyl]carbamoyl-methylamino]-N-methylbutanamide?
The canonical SMILES for 3-[[2-fluoro-5-(propanoylamino)phenyl]carbamoyl-methylamino]-N-methylbutanamide is CCC(=O)Nc1ccc(F)c(NC(=O)N(C)C(C)CC(=O)NC)c1.
What is the InChIKey of 3-[[2-fluoro-5-(propanoylamino)phenyl]carbamoyl-methylamino]-N-methylbutanamide?
The InChIKey is BQWMIHFUPIKDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O3/c1-5-14(22)19-11-6-7-12(17)13(9-11)20-16(24)21(4)10(2)8-15(23)18-3/h6-7,9-10H,5,8H2,1-4H3,(H,18,23)(H,19,22)(H,20,24).
What are the key properties of 3-[[2-fluoro-5-(propanoylamino)phenyl]carbamoyl-methylamino]-N-methylbutanamide?
3-[[2-fluoro-5-(propanoylamino)phenyl]carbamoyl-methylamino]-N-methylbutanamide has a molecular weight of 338.38 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-fluoro-5-(propanoylamino)phenyl]carbamoyl-methylamino]-N-methylbutanamide is sourced from PubChem (CID 118769740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).