2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide

C16H16FN3O2 — CID 134121107

IUPAC2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c1-20(11-15(21)18-13-5-3-2-4-6-13)16(22)19-14-9-7-12(17)8-10-14/h2-10H,11H2,1H3,(H,18,21)(H,19,22)
InChIKeyKRLKREVMRAPOLU-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.93
Rot. Bonds4

About 2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide

2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide (PubChem CID 134121107) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide
PubChem CID134121107
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide
SMILESCN(CC(=O)Nc1ccccc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c1-20(11-15(21)18-13-5-3-2-4-6-13)16(22)19-14-9-7-12(17)8-10-14/h2-10H,11H2,1H3,(H,18,21)(H,19,22)
InChIKeyKRLKREVMRAPOLU-UHFFFAOYSA-N
XLogP2.93
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2608827
2-[(4-fluorophenyl)carbamoyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 27869376
N-[2-(4-fluoroanilino)-2-oxoethyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 8503180
N-(4-fluorophenyl)-2-[methyl-[(E)-3-phenylprop-2-enyl]amino]acetamide
CID 9252985
ethyl 2-[(4-fluorophenyl)carbamoyl-methylamino]acetate
CID 47981222
3-acetamido-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylbenzamide
CID 9441407
N-(4-fluorophenyl)-2-[[2-(2-fluorophenyl)sulfanylacetyl]-methylamino]acetamide
CID 16520353
(2S)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-2-phenoxybutanamide
CID 9441258
trans-(1R,2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 9441278
3-(carbamoylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylpropanamide
CID 9426932
1-(2-bromoethyl)-3-(4-fluorophenyl)-1-methylurea
CID 106441619
3-(4-fluorophenyl)-1-[(2R)-2-hydroxypropyl]-1-methylurea
CID 27209701

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide?
The IUPAC name of 2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide (CID 134121107) is 2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide?
The canonical SMILES for 2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide is CN(CC(=O)Nc1ccccc1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide?
The InChIKey is KRLKREVMRAPOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-20(11-15(21)18-13-5-3-2-4-6-13)16(22)19-14-9-7-12(17)8-10-14/h2-10H,11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide?
2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide has a molecular weight of 301.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide is sourced from PubChem (CID 134121107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).