N-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide

C16H15F2N3O2 — CID 51158539

IUPACN-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide
SMILESCC(NC(=O)Nc1ccccc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H15F2N3O2/c1-10(19-16(23)20-12-5-3-2-4-6-12)15(22)21-14-8-7-11(17)9-13(14)18/h2-10H,1H3,(H,21,22)(H2,19,20,23)
InChIKeyKPTHUOAFGFVOAI-UHFFFAOYSA-N
MW319.31 g/mol
LogP3.11
Rot. Bonds4

About N-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide

N-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide (PubChem CID 51158539) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide
PubChem CID51158539
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC NameN-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide
SMILESCC(NC(=O)Nc1ccccc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H15F2N3O2/c1-10(19-16(23)20-12-5-3-2-4-6-12)15(22)21-14-8-7-11(17)9-13(14)18/h2-10H,1H3,(H,21,22)(H2,19,20,23)
InChIKeyKPTHUOAFGFVOAI-UHFFFAOYSA-N
XLogP3.11
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8981031
2-[(2,4-difluorophenyl)carbamoylamino]propanoic acid
CID 43288482
N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148415
N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide
CID 18160924
(2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide
CID 95318688
1-(2,4-difluorophenyl)-3-[(1R)-1-phenylethyl]urea
CID 51579251
(2S)-2-[(2,4-difluorophenyl)carbamoylamino]-N-ethylpropanamide
CID 92541927
2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide
CID 110407940
N-(2,3-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148374
N-(2,4-difluorophenyl)-2-[1-(2-fluorophenyl)ethylamino]propanamide
CID 18094383
N-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51159202
(2S)-N-(2,4-difluorophenyl)-2-(2-methoxyanilino)propanamide
CID 9274019

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide (CID 51158539) is N-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide is CC(NC(=O)Nc1ccccc1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide?
The InChIKey is KPTHUOAFGFVOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c1-10(19-16(23)20-12-5-3-2-4-6-12)15(22)21-14-8-7-11(17)9-13(14)18/h2-10H,1H3,(H,21,22)(H2,19,20,23).
What are the key properties of N-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide?
N-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide has a molecular weight of 319.31 g/mol, XLogP of 3.11, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide is sourced from PubChem (CID 51158539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).