N-(diaminomethylidene)-3-(2,4-dichlorophenyl)-2-phenylpropanamide;hydrochloride

C16H16Cl3N3O — CID 90028549

IUPACN-(diaminomethylidene)-3-(2,4-dichlorophenyl)-2-phenylpropanamide;hydrochloride
SMILESCl.NC(N)=NC(=O)C(Cc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C16H15Cl2N3O.ClH/c17-12-7-6-11(14(18)9-12)8-13(15(22)21-16(19)20)10-4-2-1-3-5-10;/h1-7,9,13H,8H2,(H4,19,20,21,22);1H
InChIKeyVLHOTIBQRPDHKI-UHFFFAOYSA-N
MW372.68 g/mol
LogP3.54
Rot. Bonds4

About N-(diaminomethylidene)-3-(2,4-dichlorophenyl)-2-phenylpropanamide;hydrochloride

N-(diaminomethylidene)-3-(2,4-dichlorophenyl)-2-phenylpropanamide;hydrochloride (PubChem CID 90028549) has the molecular formula C16H16Cl3N3O and a molecular weight of 372.68 g/mol. Its IUPAC name is N-(diaminomethylidene)-3-(2,4-dichlorophenyl)-2-phenylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)-3-(2,4-dichlorophenyl)-2-phenylpropanamide;hydrochloride
PubChem CID90028549
Molecular FormulaC16H16Cl3N3O
Molecular Weight372.68 g/mol
Exact Mass371.04
IUPAC NameN-(diaminomethylidene)-3-(2,4-dichlorophenyl)-2-phenylpropanamide;hydrochloride
SMILESCl.NC(N)=NC(=O)C(Cc1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C16H15Cl2N3O.ClH/c17-12-7-6-11(14(18)9-12)8-13(15(22)21-16(19)20)10-4-2-1-3-5-10;/h1-7,9,13H,8H2,(H4,19,20,21,22);1H
InChIKeyVLHOTIBQRPDHKI-UHFFFAOYSA-N
XLogP3.54
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.68
LogP ≤ 53.54
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

3-(2-chlorophenyl)-2-(3-chlorophenyl)-N-(diaminomethylidene)propanamide
CID 123202691
(2R)-N-(diaminomethylidene)-2-(2,4-dichlorophenyl)-3-phenylpropanamide
CID 73052533
2-chloro-3-(2,4-dichlorophenyl)propanamide
CID 82054649
3-(2,4-dichlorophenyl)-2-(4-methylphenyl)propanoic acid
CID 79436659
(2S)-N-(diaminomethylidene)-3-(3-methylphenyl)-2-phenylpropanamide
CID 73051408
(2R)-3-(3-chlorophenyl)-N-(diaminomethylidene)-2-[3-(trifluoromethyl)phenyl]propanamide
CID 144558766
2-(4-chlorophenyl)-N-(diaminomethylidene)-3-(4-methylphenyl)propanamide
CID 90028115
[2-(2,4-dichlorophenyl)-1-phenylethyl]hydrazine
CID 105199352
2-(2-chlorophenyl)-N-(diaminomethylidene)-3-phenylpropanamide
CID 123678595
N-(2-amino-2-phenylethyl)-3-(2,4-dichlorophenyl)-2-methylpropanamide;hydrochloride
CID 119529441
2-chloro-3-(2,4-dichlorophenyl)propanoyl chloride
CID 21488826
2-(4-acetamidophenyl)-N-(diaminomethylidene)-3-phenylpropanamide;hydrochloride
CID 90028577

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-3-(2,4-dichlorophenyl)-2-phenylpropanamide;hydrochloride?
The IUPAC name of N-(diaminomethylidene)-3-(2,4-dichlorophenyl)-2-phenylpropanamide;hydrochloride (CID 90028549) is N-(diaminomethylidene)-3-(2,4-dichlorophenyl)-2-phenylpropanamide;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)-3-(2,4-dichlorophenyl)-2-phenylpropanamide;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)-3-(2,4-dichlorophenyl)-2-phenylpropanamide;hydrochloride is Cl.NC(N)=NC(=O)C(Cc1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of N-(diaminomethylidene)-3-(2,4-dichlorophenyl)-2-phenylpropanamide;hydrochloride?
The InChIKey is VLHOTIBQRPDHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O.ClH/c17-12-7-6-11(14(18)9-12)8-13(15(22)21-16(19)20)10-4-2-1-3-5-10;/h1-7,9,13H,8H2,(H4,19,20,21,22);1H.
What are the key properties of N-(diaminomethylidene)-3-(2,4-dichlorophenyl)-2-phenylpropanamide;hydrochloride?
N-(diaminomethylidene)-3-(2,4-dichlorophenyl)-2-phenylpropanamide;hydrochloride has a molecular weight of 372.68 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-3-(2,4-dichlorophenyl)-2-phenylpropanamide;hydrochloride is sourced from PubChem (CID 90028549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).