N-(5-chloro-2-methoxyphenyl)-3-(diaminomethylideneamino)propanamide;hydrobromide

C11H16BrClN4O2 — CID 131958555

IUPACN-(5-chloro-2-methoxyphenyl)-3-(diaminomethylideneamino)propanamide;hydrobromide
SMILESBr.COc1ccc(Cl)cc1NC(=O)CCN=C(N)N
InChIInChI=1S/C11H15ClN4O2.BrH/c1-18-9-3-2-7(12)6-8(9)16-10(17)4-5-15-11(13)14;/h2-3,6H,4-5H2,1H3,(H,16,17)(H4,13,14,15);1H
InChIKeyJRKCJYDWSPLJLU-UHFFFAOYSA-N
MW351.63 g/mol
LogP1.53
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-3-(diaminomethylideneamino)propanamide;hydrobromide

N-(5-chloro-2-methoxyphenyl)-3-(diaminomethylideneamino)propanamide;hydrobromide (PubChem CID 131958555) has the molecular formula C11H16BrClN4O2 and a molecular weight of 351.63 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-(diaminomethylideneamino)propanamide;hydrobromide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-3-(diaminomethylideneamino)propanamide;hydrobromide
PubChem CID131958555
Molecular FormulaC11H16BrClN4O2
Molecular Weight351.63 g/mol
Exact Mass350.01
IUPAC NameN-(5-chloro-2-methoxyphenyl)-3-(diaminomethylideneamino)propanamide;hydrobromide
SMILESBr.COc1ccc(Cl)cc1NC(=O)CCN=C(N)N
InChIInChI=1S/C11H15ClN4O2.BrH/c1-18-9-3-2-7(12)6-8(9)16-10(17)4-5-15-11(13)14;/h2-3,6H,4-5H2,1H3,(H,16,17)(H4,13,14,15);1H
InChIKeyJRKCJYDWSPLJLU-UHFFFAOYSA-N
XLogP1.53
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.63
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N'-(5-chloro-2-methoxyphenyl)butanediamide
CID 94271903
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(diaminomethylideneamino)propanamide;hydroiodide
CID 111630099
3-(4-aminophenyl)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 28713135
ethyl 4-(5-chloro-2-methoxyanilino)-4-oxobutanoate
CID 9073367
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
5-bromo-N-(5-chloro-2-methoxyphenyl)pentanamide
CID 103601683
N-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-5-methylanilino)propanamide
CID 47877577
N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
CID 129040736
N-(5-chloro-2-methoxyphenyl)-3-(5-chloro-2-methylanilino)propanamide
CID 109038439
3-(tert-butylamino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 54928228
N-(5-chloro-2-methoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 1337784
N-(5-chloro-2-methoxyphenyl)-4-(4-methoxy-3-methylphenyl)butanamide
CID 838505

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(diaminomethylideneamino)propanamide;hydrobromide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-(diaminomethylideneamino)propanamide;hydrobromide (CID 131958555) is N-(5-chloro-2-methoxyphenyl)-3-(diaminomethylideneamino)propanamide;hydrobromide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-(diaminomethylideneamino)propanamide;hydrobromide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-(diaminomethylideneamino)propanamide;hydrobromide is Br.COc1ccc(Cl)cc1NC(=O)CCN=C(N)N.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-(diaminomethylideneamino)propanamide;hydrobromide?
The InChIKey is JRKCJYDWSPLJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2.BrH/c1-18-9-3-2-7(12)6-8(9)16-10(17)4-5-15-11(13)14;/h2-3,6H,4-5H2,1H3,(H,16,17)(H4,13,14,15);1H.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-(diaminomethylideneamino)propanamide;hydrobromide?
N-(5-chloro-2-methoxyphenyl)-3-(diaminomethylideneamino)propanamide;hydrobromide has a molecular weight of 351.63 g/mol, XLogP of 1.53, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-3-(diaminomethylideneamino)propanamide;hydrobromide is sourced from PubChem (CID 131958555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).