(2S)-2-anilino-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]propanamide

C17H18FN3O — CID 51414732

IUPAC(2S)-2-anilino-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]propanamide
SMILESC/C(=N/NC(=O)[C@H](C)Nc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FN3O/c1-12(14-8-10-15(18)11-9-14)20-21-17(22)13(2)19-16-6-4-3-5-7-16/h3-11,13,19H,1-2H3,(H,21,22)/b20-12-/t13-/m0/s1
InChIKeyLOXBYUQQHCZVJC-RQZLXBNYSA-N
MW299.35 g/mol
LogP3.17
Rot. Bonds5

About (2S)-2-anilino-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]propanamide

(2S)-2-anilino-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]propanamide (PubChem CID 51414732) has the molecular formula C17H18FN3O and a molecular weight of 299.35 g/mol. Its IUPAC name is (2S)-2-anilino-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]propanamide.

Molecular Properties

Compound Name(2S)-2-anilino-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]propanamide
PubChem CID51414732
Molecular FormulaC17H18FN3O
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name(2S)-2-anilino-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]propanamide
SMILESC/C(=N/NC(=O)[C@H](C)Nc1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C17H18FN3O/c1-12(14-8-10-15(18)11-9-14)20-21-17(22)13(2)19-16-6-4-3-5-7-16/h3-11,13,19H,1-2H3,(H,21,22)/b20-12-/t13-/m0/s1
InChIKeyLOXBYUQQHCZVJC-RQZLXBNYSA-N
XLogP3.17
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-(4-fluorophenyl)ethylideneamino]-2,2-diphenylacetamide
CID 827608
(2R)-2-(4-methoxyanilino)-N-[(E)-1-phenylethylideneamino]propanamide
CID 5403118
(2R)-N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-hydroxy-2-phenylacetamide
CID 6940689
1-[(Z)-1-(4-fluorophenyl)ethylideneamino]-3-phenylurea
CID 9241529
(2S)-2-(naphthalen-2-ylamino)-N-[(Z)-1-phenylethylideneamino]propanamide
CID 6858361
2-(3-chloroanilino)-N-[1-(4-methylphenyl)ethylideneamino]propanamide
CID 4654925
(2R)-N-[(Z)-1-(4-methylphenyl)ethylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390539
2-(4-methoxyanilino)-N-(1-naphthalen-2-ylethylideneamino)propanamide
CID 71960241
N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 6022107
2-(4-chloroanilino)-N-[1-(4-methoxyphenyl)ethylideneamino]propanamide
CID 71960114
(2S)-N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 7830345
N-(4-fluorophenyl)-2-(4-phenylanilino)propanamide
CID 4879692

Frequently Asked Questions

What is the IUPAC name of (2S)-2-anilino-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]propanamide?
The IUPAC name of (2S)-2-anilino-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]propanamide (CID 51414732) is (2S)-2-anilino-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]propanamide.
What is the SMILES notation for (2S)-2-anilino-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]propanamide?
The canonical SMILES for (2S)-2-anilino-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]propanamide is C/C(=N/NC(=O)[C@H](C)Nc1ccccc1)c1ccc(F)cc1.
What is the InChIKey of (2S)-2-anilino-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]propanamide?
The InChIKey is LOXBYUQQHCZVJC-RQZLXBNYSA-N. The full InChI is InChI=1S/C17H18FN3O/c1-12(14-8-10-15(18)11-9-14)20-21-17(22)13(2)19-16-6-4-3-5-7-16/h3-11,13,19H,1-2H3,(H,21,22)/b20-12-/t13-/m0/s1.
What are the key properties of (2S)-2-anilino-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]propanamide?
(2S)-2-anilino-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]propanamide has a molecular weight of 299.35 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-anilino-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]propanamide is sourced from PubChem (CID 51414732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).