N-(diaminomethylidene)-2-fluoro-2,3-diphenylpropanamide

C16H16FN3O — CID 90027013

IUPACN-(diaminomethylidene)-2-fluoro-2,3-diphenylpropanamide
SMILESNC(N)=NC(=O)C(F)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16FN3O/c17-16(14(21)20-15(18)19,13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2,(H4,18,19,20,21)
InChIKeyJLJOEEFXUASXFR-UHFFFAOYSA-N
MW285.32 g/mol
LogP1.89
Rot. Bonds4

About N-(diaminomethylidene)-2-fluoro-2,3-diphenylpropanamide

N-(diaminomethylidene)-2-fluoro-2,3-diphenylpropanamide (PubChem CID 90027013) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-fluoro-2,3-diphenylpropanamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-fluoro-2,3-diphenylpropanamide
PubChem CID90027013
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC NameN-(diaminomethylidene)-2-fluoro-2,3-diphenylpropanamide
SMILESNC(N)=NC(=O)C(F)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C16H16FN3O/c17-16(14(21)20-15(18)19,13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2,(H4,18,19,20,21)
InChIKeyJLJOEEFXUASXFR-UHFFFAOYSA-N
XLogP1.89
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(diaminomethylidene)-3-(4-methoxyphenyl)-2-methyl-2-phenylpropanamide
CID 90028508
(2S)-2-fluoro-1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
CID 71449758
(2R)-2-amino-2-fluoro-3-phenylpropanoic acid
CID 54456970
(2R)-2-amino-2-benzyl-3,3,3-trifluoropropanamide
CID 135070263
2,2-difluoro-3-phenylpropanoic acid
CID 69365338
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
2,3-diphenylpropane-1,1,1,2-tetracarboxylic acid
CID 18003943
(2S)-2-benzyl-2,3-dihydroxypropanamide
CID 67629888
2,3-diphenyl-2-(propan-2-ylamino)propanamide
CID 60787356
1,1,1-trifluoro-2,3-diphenylpropan-2-ol
CID 12697056
2,2-dichloro-3-phenylpropanamide
CID 21425793
2,2-difluoro-1,1,3-triphenylpropan-1-ol
CID 54590336

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2-fluoro-2,3-diphenylpropanamide?
The IUPAC name of N-(diaminomethylidene)-2-fluoro-2,3-diphenylpropanamide (CID 90027013) is N-(diaminomethylidene)-2-fluoro-2,3-diphenylpropanamide.
What is the SMILES notation for N-(diaminomethylidene)-2-fluoro-2,3-diphenylpropanamide?
The canonical SMILES for N-(diaminomethylidene)-2-fluoro-2,3-diphenylpropanamide is NC(N)=NC(=O)C(F)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-(diaminomethylidene)-2-fluoro-2,3-diphenylpropanamide?
The InChIKey is JLJOEEFXUASXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-16(14(21)20-15(18)19,13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-10H,11H2,(H4,18,19,20,21).
What are the key properties of N-(diaminomethylidene)-2-fluoro-2,3-diphenylpropanamide?
N-(diaminomethylidene)-2-fluoro-2,3-diphenylpropanamide has a molecular weight of 285.32 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-fluoro-2,3-diphenylpropanamide is sourced from PubChem (CID 90027013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).