2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide

C16H15ClFN3O2 — CID 110407940

IUPAC2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide
SMILESCC(NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C16H15ClFN3O2/c1-10(15(22)21-14-5-3-2-4-13(14)18)19-16(23)20-12-8-6-11(17)7-9-12/h2-10H,1H3,(H,21,22)(H2,19,20,23)
InChIKeyLVGIRCIYKQTOIF-UHFFFAOYSA-N
MW335.77 g/mol
LogP3.63
Rot. Bonds4

About 2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide

2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide (PubChem CID 110407940) has the molecular formula C16H15ClFN3O2 and a molecular weight of 335.77 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide
PubChem CID110407940
Molecular FormulaC16H15ClFN3O2
Molecular Weight335.77 g/mol
Exact Mass335.08
IUPAC Name2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide
SMILESCC(NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccccc1F
InChIInChI=1S/C16H15ClFN3O2/c1-10(15(22)21-14-5-3-2-4-13(14)18)19-16(23)20-12-8-6-11(17)7-9-12/h2-10H,1H3,(H,21,22)(H2,19,20,23)
InChIKeyLVGIRCIYKQTOIF-UHFFFAOYSA-N
XLogP3.63
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.77
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-N-[1-(2-fluoroanilino)-1-oxopropan-2-yl]benzamide
CID 46756631
N-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51158539
N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148415
(2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 94185477
2-(dimethylcarbamoylamino)-N-(2-fluorophenyl)propanamide
CID 110601209
4-[(2-fluorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180579
1-[(4-chlorophenyl)-phenylmethyl]-3-(2-fluorophenyl)urea
CID 45352104
N-(2,3-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148374
N-[4-[[1-(2-fluoroanilino)-1-oxopropan-2-yl]amino]phenyl]-2,2-dimethylpropanamide
CID 18280724
2-[(4-chlorophenyl)carbamoylamino]-N-cyclopentylpropanamide
CID 47075783
1-(4-butan-2-ylphenyl)-3-(2-fluorophenyl)urea
CID 17398492
1-[(2R)-butan-2-yl]-3-(2-fluorophenyl)urea
CID 727758

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide (CID 110407940) is 2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide is CC(NC(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccccc1F.
What is the InChIKey of 2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide?
The InChIKey is LVGIRCIYKQTOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O2/c1-10(15(22)21-14-5-3-2-4-13(14)18)19-16(23)20-12-8-6-11(17)7-9-12/h2-10H,1H3,(H,21,22)(H2,19,20,23).
What are the key properties of 2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide?
2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide has a molecular weight of 335.77 g/mol, XLogP of 3.63, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)carbamoylamino]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 110407940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).