(2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide

C16H16FN3O2 — CID 95318688

IUPAC(2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide
SMILESC[C@H](NC(=O)Nc1cccc(F)c1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16FN3O2/c1-11(15(21)19-13-7-3-2-4-8-13)18-16(22)20-14-9-5-6-12(17)10-14/h2-11H,1H3,(H,19,21)(H2,18,20,22)/t11-/m0/s1
InChIKeyRVTHBWUQULFAMG-NSHDSACASA-N
MW301.32 g/mol
LogP2.97
Rot. Bonds4

About (2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide

(2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide (PubChem CID 95318688) has the molecular formula C16H16FN3O2 and a molecular weight of 301.32 g/mol. Its IUPAC name is (2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide
PubChem CID95318688
Molecular FormulaC16H16FN3O2
Molecular Weight301.32 g/mol
Exact Mass301.12
IUPAC Name(2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide
SMILESC[C@H](NC(=O)Nc1cccc(F)c1)C(=O)Nc1ccccc1
InChIInChI=1S/C16H16FN3O2/c1-11(15(21)19-13-7-3-2-4-8-13)18-16(22)20-14-9-5-6-12(17)10-14/h2-11H,1H3,(H,19,21)(H2,18,20,22)/t11-/m0/s1
InChIKeyRVTHBWUQULFAMG-NSHDSACASA-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

N-(4-fluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148415
N-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]benzamide
CID 51606082
(2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide
CID 95325032
N-(2,4-difluorophenyl)-2-(phenylcarbamoylamino)propanamide
CID 51158539
[2-(3-fluoroanilino)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate
CID 8887341
N-(3,5-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51159202
[(2S)-1-(3-fluoroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(phenylcarbamoylamino)butanoate
CID 8981808
(2S)-2-(benzhydrylamino)-N-(3-fluorophenyl)propanamide
CID 9445795
2-[(3-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 61030090
N-(3-fluorophenyl)-2-phenylpropanamide
CID 70678315
(2R)-N-(3-fluorophenyl)-2-phenylpropanamide
CID 97038180
(2S)-2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26005525

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide?
The IUPAC name of (2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide (CID 95318688) is (2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide.
What is the SMILES notation for (2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide?
The canonical SMILES for (2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide is C[C@H](NC(=O)Nc1cccc(F)c1)C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide?
The InChIKey is RVTHBWUQULFAMG-NSHDSACASA-N. The full InChI is InChI=1S/C16H16FN3O2/c1-11(15(21)19-13-7-3-2-4-8-13)18-16(22)20-14-9-5-6-12(17)10-14/h2-11H,1H3,(H,19,21)(H2,18,20,22)/t11-/m0/s1.
What are the key properties of (2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide?
(2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide 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 (2S)-2-[(3-fluorophenyl)carbamoylamino]-N-phenylpropanamide is sourced from PubChem (CID 95318688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).