3-(4-chlorophenyl)-N-(diaminomethylidene)-2-(4-fluorophenyl)propanamide

C16H15ClFN3O — CID 90028430

IUPAC3-(4-chlorophenyl)-N-(diaminomethylidene)-2-(4-fluorophenyl)propanamide
SMILESNC(N)=NC(=O)C(Cc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H15ClFN3O/c17-12-5-1-10(2-6-12)9-14(15(22)21-16(19)20)11-3-7-13(18)8-4-11/h1-8,14H,9H2,(H4,19,20,21,22)
InChIKeySLUCKBNZCAWBMM-UHFFFAOYSA-N
MW319.77 g/mol
LogP2.61
Rot. Bonds4

About 3-(4-chlorophenyl)-N-(diaminomethylidene)-2-(4-fluorophenyl)propanamide

3-(4-chlorophenyl)-N-(diaminomethylidene)-2-(4-fluorophenyl)propanamide (PubChem CID 90028430) has the molecular formula C16H15ClFN3O and a molecular weight of 319.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(diaminomethylidene)-2-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(diaminomethylidene)-2-(4-fluorophenyl)propanamide
PubChem CID90028430
Molecular FormulaC16H15ClFN3O
Molecular Weight319.77 g/mol
Exact Mass319.09
IUPAC Name3-(4-chlorophenyl)-N-(diaminomethylidene)-2-(4-fluorophenyl)propanamide
SMILESNC(N)=NC(=O)C(Cc1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C16H15ClFN3O/c17-12-5-1-10(2-6-12)9-14(15(22)21-16(19)20)11-3-7-13(18)8-4-11/h1-8,14H,9H2,(H4,19,20,21,22)
InChIKeySLUCKBNZCAWBMM-UHFFFAOYSA-N
XLogP2.61
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 52.61
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-(4-chlorophenyl)-N-(diaminomethylidene)-3-(4-methylphenyl)propanamide
CID 90028115
(2R)-N-(diaminomethylidene)-2-(2,4-dichlorophenyl)-3-phenylpropanamide
CID 73052533
3-(4-tert-butylphenyl)-2-(4-fluorophenyl)propanamide
CID 68577173
2-(2-chlorophenyl)-N-(diaminomethylidene)-3-phenylpropanamide
CID 123678595
(3R,4R)-4-(4-chlorophenyl)-3-[(4-fluorophenyl)methyl]-4-hydroxybutan-2-one
CID 102347185
(2S)-2-(4-chlorophenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 97261025
(2R)-3-(4-fluorophenyl)-2-phenylpropanoic acid
CID 795470
N-(4-chlorophenyl)sulfonyl-3-(4-fluorophenyl)-2-phenylpropanamide
CID 110165955
2-(4-ethylphenyl)-3-(4-fluorophenyl)propanoic acid
CID 82093362
3-(4-bromophenyl)-2-(4-fluorophenyl)propanoic acid
CID 79434042
methyl (2S)-2-chloro-3-(4-fluorophenyl)propanoate
CID 54763159
(3R)-4-(4-fluorophenyl)-3-phenylbutan-2-one
CID 129364574

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(diaminomethylidene)-2-(4-fluorophenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(diaminomethylidene)-2-(4-fluorophenyl)propanamide (CID 90028430) is 3-(4-chlorophenyl)-N-(diaminomethylidene)-2-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(diaminomethylidene)-2-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(diaminomethylidene)-2-(4-fluorophenyl)propanamide is NC(N)=NC(=O)C(Cc1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(diaminomethylidene)-2-(4-fluorophenyl)propanamide?
The InChIKey is SLUCKBNZCAWBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3O/c17-12-5-1-10(2-6-12)9-14(15(22)21-16(19)20)11-3-7-13(18)8-4-11/h1-8,14H,9H2,(H4,19,20,21,22).
What are the key properties of 3-(4-chlorophenyl)-N-(diaminomethylidene)-2-(4-fluorophenyl)propanamide?
3-(4-chlorophenyl)-N-(diaminomethylidene)-2-(4-fluorophenyl)propanamide has a molecular weight of 319.77 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(diaminomethylidene)-2-(4-fluorophenyl)propanamide is sourced from PubChem (CID 90028430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).