(2R)-N-(diaminomethylidene)-2-(2,4-dichlorophenyl)-3-phenylpropanamide

C16H15Cl2N3O — CID 73052533

IUPAC(2R)-N-(diaminomethylidene)-2-(2,4-dichlorophenyl)-3-phenylpropanamide
SMILESNC(N)=NC(=O)[C@H](Cc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2N3O/c17-11-6-7-12(14(18)9-11)13(15(22)21-16(19)20)8-10-4-2-1-3-5-10/h1-7,9,13H,8H2,(H4,19,20,21,22)/t13-/m1/s1
InChIKeyDOQVXWOYYPUZBB-CYBMUJFWSA-N
MW336.22 g/mol
LogP3.12
Rot. Bonds4

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

(2R)-N-(diaminomethylidene)-2-(2,4-dichlorophenyl)-3-phenylpropanamide (PubChem CID 73052533) has the molecular formula C16H15Cl2N3O and a molecular weight of 336.22 g/mol. Its IUPAC name is (2R)-N-(diaminomethylidene)-2-(2,4-dichlorophenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-N-(diaminomethylidene)-2-(2,4-dichlorophenyl)-3-phenylpropanamide
PubChem CID73052533
Molecular FormulaC16H15Cl2N3O
Molecular Weight336.22 g/mol
Exact Mass335.06
IUPAC Name(2R)-N-(diaminomethylidene)-2-(2,4-dichlorophenyl)-3-phenylpropanamide
SMILESNC(N)=NC(=O)[C@H](Cc1ccccc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H15Cl2N3O/c17-11-6-7-12(14(18)9-11)13(15(22)21-16(19)20)8-10-4-2-1-3-5-10/h1-7,9,13H,8H2,(H4,19,20,21,22)/t13-/m1/s1
InChIKeyDOQVXWOYYPUZBB-CYBMUJFWSA-N
XLogP3.12
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 53.12
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-chlorophenyl)-N-(diaminomethylidene)-3-phenylpropanamide
CID 123678595
N-(diaminomethylidene)-3-(2,4-dichlorophenyl)-2-phenylpropanamide;hydrochloride
CID 90028549
3-(4-chlorophenyl)-N-(diaminomethylidene)-2-(4-fluorophenyl)propanamide
CID 90028430
2-(4-chlorophenyl)-N-(diaminomethylidene)-3-(4-methylphenyl)propanamide
CID 90028115
3-(2-chlorophenyl)-2-(3-chlorophenyl)-N-(diaminomethylidene)propanamide
CID 123202691
(2R)-3-(3-chlorophenyl)-N-(diaminomethylidene)-2-[3-(trifluoromethyl)phenyl]propanamide
CID 144558766
(2S)-N-(diaminomethylidene)-3-(3-methylphenyl)-2-phenylpropanamide
CID 73051408
2-(4-acetamidophenyl)-N-(diaminomethylidene)-3-phenylpropanamide;hydrochloride
CID 90028577
(2R)-N-(diaminomethylidene)-3-naphthalen-2-yl-2-phenylpropanamide
CID 90028017
(2S)-3-(4-cyanophenyl)-N-(diaminomethylidene)-2-phenylpropanamide
CID 73051901
3-(3-cyanophenyl)-N-(diaminomethylidene)-2-phenylpropanamide;hydrochloride
CID 90028612
2-(4-chloro-2-nitrophenyl)-3-phenylpropanoate
CID 22215643

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(diaminomethylidene)-2-(2,4-dichlorophenyl)-3-phenylpropanamide?
The IUPAC name of (2R)-N-(diaminomethylidene)-2-(2,4-dichlorophenyl)-3-phenylpropanamide (CID 73052533) is (2R)-N-(diaminomethylidene)-2-(2,4-dichlorophenyl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-N-(diaminomethylidene)-2-(2,4-dichlorophenyl)-3-phenylpropanamide?
The canonical SMILES for (2R)-N-(diaminomethylidene)-2-(2,4-dichlorophenyl)-3-phenylpropanamide is NC(N)=NC(=O)[C@H](Cc1ccccc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2R)-N-(diaminomethylidene)-2-(2,4-dichlorophenyl)-3-phenylpropanamide?
The InChIKey is DOQVXWOYYPUZBB-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H15Cl2N3O/c17-11-6-7-12(14(18)9-11)13(15(22)21-16(19)20)8-10-4-2-1-3-5-10/h1-7,9,13H,8H2,(H4,19,20,21,22)/t13-/m1/s1.
What are the key properties of (2R)-N-(diaminomethylidene)-2-(2,4-dichlorophenyl)-3-phenylpropanamide?
(2R)-N-(diaminomethylidene)-2-(2,4-dichlorophenyl)-3-phenylpropanamide has a molecular weight of 336.22 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(diaminomethylidene)-2-(2,4-dichlorophenyl)-3-phenylpropanamide is sourced from PubChem (CID 73052533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).