2-(carbamoylamino)-N-(2,4-difluorophenyl)-3-phenylpropanamide

C16H15F2N3O2 — CID 18160928

IUPAC2-(carbamoylamino)-N-(2,4-difluorophenyl)-3-phenylpropanamide
SMILESNC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H15F2N3O2/c17-11-6-7-13(12(18)9-11)20-15(22)14(21-16(19)23)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,20,22)(H3,19,21,23)
InChIKeyBWRYSDVHSXMBFB-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.18
Rot. Bonds5

About 2-(carbamoylamino)-N-(2,4-difluorophenyl)-3-phenylpropanamide

2-(carbamoylamino)-N-(2,4-difluorophenyl)-3-phenylpropanamide (PubChem CID 18160928) has the molecular formula C16H15F2N3O2 and a molecular weight of 319.31 g/mol. Its IUPAC name is 2-(carbamoylamino)-N-(2,4-difluorophenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name2-(carbamoylamino)-N-(2,4-difluorophenyl)-3-phenylpropanamide
PubChem CID18160928
Molecular FormulaC16H15F2N3O2
Molecular Weight319.31 g/mol
Exact Mass319.11
IUPAC Name2-(carbamoylamino)-N-(2,4-difluorophenyl)-3-phenylpropanamide
SMILESNC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(F)cc1F
InChIInChI=1S/C16H15F2N3O2/c17-11-6-7-13(12(18)9-11)20-15(22)14(21-16(19)23)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,20,22)(H3,19,21,23)
InChIKeyBWRYSDVHSXMBFB-UHFFFAOYSA-N
XLogP2.18
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(carbamoylamino)-N-(2-fluorophenyl)-3-phenylpropanamide
CID 18161294
2-amino-N-(2,4-difluorophenyl)-3-phenylpropanamide
CID 24708745
tert-butyl N-[(2S)-1-(2,4-difluoroanilino)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 31924078
N-cyclopropyl-2-[(2,4-difluorophenyl)carbamoylamino]-3-phenylpropanamide
CID 47093309
N-(6-bromo-2-oxo-1H-pyridin-3-yl)-2-(carbamoylamino)-3-phenylpropanamide
CID 166223731
N-[1-(4-chloro-2-fluoroanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 55345705
(2R)-N-(2,4-difluorophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 30167574
N-(4-anilinophenyl)-2-(carbamoylamino)-3-phenylpropanamide
CID 134008809
(2S)-N-(2,4-difluorophenyl)-2-[(4-ethoxy-3-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 30165429
N-[1-(2,4-dichloroanilino)-1-oxo-3-phenylpropan-2-yl]-3-fluorobenzamide
CID 42725617
N-[1-(5-fluoro-2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide
CID 118296373
benzyl-[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]-methylazanium
CID 9274668

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-N-(2,4-difluorophenyl)-3-phenylpropanamide?
The IUPAC name of 2-(carbamoylamino)-N-(2,4-difluorophenyl)-3-phenylpropanamide (CID 18160928) is 2-(carbamoylamino)-N-(2,4-difluorophenyl)-3-phenylpropanamide.
What is the SMILES notation for 2-(carbamoylamino)-N-(2,4-difluorophenyl)-3-phenylpropanamide?
The canonical SMILES for 2-(carbamoylamino)-N-(2,4-difluorophenyl)-3-phenylpropanamide is NC(=O)NC(Cc1ccccc1)C(=O)Nc1ccc(F)cc1F.
What is the InChIKey of 2-(carbamoylamino)-N-(2,4-difluorophenyl)-3-phenylpropanamide?
The InChIKey is BWRYSDVHSXMBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3O2/c17-11-6-7-13(12(18)9-11)20-15(22)14(21-16(19)23)8-10-4-2-1-3-5-10/h1-7,9,14H,8H2,(H,20,22)(H3,19,21,23).
What are the key properties of 2-(carbamoylamino)-N-(2,4-difluorophenyl)-3-phenylpropanamide?
2-(carbamoylamino)-N-(2,4-difluorophenyl)-3-phenylpropanamide has a molecular weight of 319.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-N-(2,4-difluorophenyl)-3-phenylpropanamide is sourced from PubChem (CID 18160928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).