N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide

C16H16FN3O2 — CID 51148415

IUPACN-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
SMILESCC(NC(=O)Nc1ccccc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c1-11(15(21)19-14-9-7-12(17)8-10-14)18-16(22)20-13-5-3-2-4-6-13/h2-11H,1H3,(H,19,21)(H2,18,20,22)
InChIKeyGNUBHKAMAXTTJO-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.97
Rot. Bonds4

About N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide

N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide (PubChem CID 51148415) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
PubChem CID51148415
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC NameN-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
SMILESCC(NC(=O)Nc1ccccc1)C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H16FN3O2/c1-11(15(21)19-14-9-7-12(17)8-10-14)18-16(22)20-13-5-3-2-4-6-13/h2-11H,1H3,(H,19,21)(H2,18,20,22)
InChIKeyGNUBHKAMAXTTJO-UHFFFAOYSA-N
XLogP2.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide
CID 95318688
N-(4-fluorophenyl)-3-methyl-2-(phenylcarbamoylamino)butanamide
CID 17462903
(2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26005525
(2R)-2-[(4-fluorophenyl)carbamoylamino]propanoic acid
CID 20848024
N-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51158539
N-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51159202
1-[(1R)-1-(4-fluorophenyl)ethyl]-3-phenylurea
CID 27868374
(2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide
CID 95325032
(2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 7830345
N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 4879692
N-(4-fluorophenyl)-2-phenylpropanamide
CID 2940269
2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide
CID 110407940

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide?
The IUPAC name of N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide (CID 51148415) is N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide is CC(NC(=O)Nc1ccccc1)C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide?
The InChIKey is GNUBHKAMAXTTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-11(15(21)19-14-9-7-12(17)8-10-14)18-16(22)20-13-5-3-2-4-6-13/h2-11H,1H3,(H,19,21)(H2,18,20,22).
What are the key properties of N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide?
N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide has a molecular weight of 301.32 g/mol, XLogP of 2.97, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 51148415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).