3-(carbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide

C13H17FN4O3 — CID 9426932

IUPAC3-(carbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)CCNC(N)=O
InChIInChI=1S/C13H17FN4O3/c1-18(12(20)6-7-16-13(15)21)8-11(19)17-10-4-2-9(14)3-5-10/h2-5H,6-8H2,1H3,(H,17,19)(H3,15,16,21)
InChIKeyWPTCHSDXKGZPKD-UHFFFAOYSA-N
MW296.30 g/mol
LogP0.28
Rot. Bonds6

About 3-(carbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide

3-(carbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 9426932) has the molecular formula C13H17FN4O3 and a molecular weight of 296.30 g/mol. Its IUPAC name is 3-(carbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(carbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
PubChem CID9426932
Molecular FormulaC13H17FN4O3
Molecular Weight296.30 g/mol
Exact Mass296.13
IUPAC Name3-(carbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)C(=O)CCNC(N)=O
InChIInChI=1S/C13H17FN4O3/c1-18(12(20)6-7-16-13(15)21)8-11(19)17-10-4-2-9(14)3-5-10/h2-5H,6-8H2,1H3,(H,17,19)(H3,15,16,21)
InChIKeyWPTCHSDXKGZPKD-UHFFFAOYSA-N
XLogP0.28
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(carbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide 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-(carbamoylamino)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 9374487
3-(cyclohexylcarbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
CID 18146673
N-[3-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]-4-nitrobenzamide
CID 9440821
4-(3,4-dimethylphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide
CID 9426993
2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide
CID 134121107
3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
CID 9426987
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 8503180
2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
2-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylacetamide
CID 8503168
(3R)-3-(carbamoylamino)-3-(4-chlorophenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
CID 9441398
4-(4-ethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-4-oxobutanamide
CID 9441183
N'-(4-fluorophenyl)propanediamide
CID 18174009

Frequently Asked Questions

What is the IUPAC name of 3-(carbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of 3-(carbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide (CID 9426932) is 3-(carbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for 3-(carbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for 3-(carbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide is CN(CC(=O)Nc1ccc(F)cc1)C(=O)CCNC(N)=O.
What is the InChIKey of 3-(carbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is WPTCHSDXKGZPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O3/c1-18(12(20)6-7-16-13(15)21)8-11(19)17-10-4-2-9(14)3-5-10/h2-5H,6-8H2,1H3,(H,17,19)(H3,15,16,21).
What are the key properties of 3-(carbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide?
3-(carbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 296.30 g/mol, XLogP of 0.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 9426932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).