(2R)-N-(diaminomethylidene)-3-(4-fluorophenyl)-2-phenylpropanamide

C16H16FN3O — CID 73051411

IUPAC(2R)-N-(diaminomethylidene)-3-(4-fluorophenyl)-2-phenylpropanamide
SMILESNC(N)=NC(=O)[C@H](Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H16FN3O/c17-13-8-6-11(7-9-13)10-14(15(21)20-16(18)19)12-4-2-1-3-5-12/h1-9,14H,10H2,(H4,18,19,20,21)/t14-/m1/s1
InChIKeyNGNWXTHNBXWPSH-CQSZACIVSA-N
MW285.32 g/mol
LogP1.95
Rot. Bonds4

About (2R)-N-(diaminomethylidene)-3-(4-fluorophenyl)-2-phenylpropanamide

(2R)-N-(diaminomethylidene)-3-(4-fluorophenyl)-2-phenylpropanamide (PubChem CID 73051411) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is (2R)-N-(diaminomethylidene)-3-(4-fluorophenyl)-2-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-(diaminomethylidene)-3-(4-fluorophenyl)-2-phenylpropanamide
PubChem CID73051411
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name(2R)-N-(diaminomethylidene)-3-(4-fluorophenyl)-2-phenylpropanamide
SMILESNC(N)=NC(=O)[C@H](Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C16H16FN3O/c17-13-8-6-11(7-9-13)10-14(15(21)20-16(18)19)12-4-2-1-3-5-12/h1-9,14H,10H2,(H4,18,19,20,21)/t14-/m1/s1
InChIKeyNGNWXTHNBXWPSH-CQSZACIVSA-N
XLogP1.95
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 ≤ 51.95
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

2,2-Diphenylacetamide
CID 78420
Flurbiprofen amide
CID 9837706
Dsp-0565
CID 46189864
2-(2-Fluorophenyl)-2,2-diphenylacetamide
CID 9814995
2-(4-Fluorophenyl)-2,2-diphenylacetamide
CID 9879550
N-(2,2-Dimethyl-3-phenyl-cyclopropanecarbonyl)-guanidine
CID 11110736
N-[3-(4-Fluoro-3-isopropyl-phenyl)-2,2-dimethyl-cyclopropanecarbonyl]-guanidine
CID 10862369
N-[3-(3-Ethyl-4-fluoro-phenyl)-2,2-dimethyl-cyclopropanecarbonyl]-guanidine
CID 11014654
N-[3-(4-Fluoro-3-methyl-phenyl)-2,2-dimethyl-cyclopropanecarbonyl]-guanidine
CID 11057914
2-Cyclohexyl-2-phenylacetamide
CID 4304422
2-[5-Fluoro-2-(2-fluorophenyl)phenyl]acetamide
CID 46211891
2-[4-Fluoro-2-(2-fluorophenyl)phenyl]acetamide
CID 46212372

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(diaminomethylidene)-3-(4-fluorophenyl)-2-phenylpropanamide?
The IUPAC name of (2R)-N-(diaminomethylidene)-3-(4-fluorophenyl)-2-phenylpropanamide (CID 73051411) is (2R)-N-(diaminomethylidene)-3-(4-fluorophenyl)-2-phenylpropanamide.
What is the SMILES notation for (2R)-N-(diaminomethylidene)-3-(4-fluorophenyl)-2-phenylpropanamide?
The canonical SMILES for (2R)-N-(diaminomethylidene)-3-(4-fluorophenyl)-2-phenylpropanamide is NC(N)=NC(=O)[C@H](Cc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of (2R)-N-(diaminomethylidene)-3-(4-fluorophenyl)-2-phenylpropanamide?
The InChIKey is NGNWXTHNBXWPSH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16FN3O/c17-13-8-6-11(7-9-13)10-14(15(21)20-16(18)19)12-4-2-1-3-5-12/h1-9,14H,10H2,(H4,18,19,20,21)/t14-/m1/s1.
What are the key properties of (2R)-N-(diaminomethylidene)-3-(4-fluorophenyl)-2-phenylpropanamide?
(2R)-N-(diaminomethylidene)-3-(4-fluorophenyl)-2-phenylpropanamide has a molecular weight of 285.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(diaminomethylidene)-3-(4-fluorophenyl)-2-phenylpropanamide is sourced from PubChem (CID 73051411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).