N-(diaminomethylidene)-3-naphthalen-1-ylbenzamide;hydrochloride

C18H16ClN3O — CID 18945193

IUPACN-(diaminomethylidene)-3-naphthalen-1-ylbenzamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1cccc(-c2cccc3ccccc23)c1
InChIInChI=1S/C18H15N3O.ClH/c19-18(20)21-17(22)14-8-3-7-13(11-14)16-10-4-6-12-5-1-2-9-15(12)16;/h1-11H,(H4,19,20,21,22);1H
InChIKeyAJLCFQXWAGDHAX-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.34
Rot. Bonds2

About N-(diaminomethylidene)-3-naphthalen-1-ylbenzamide;hydrochloride

N-(diaminomethylidene)-3-naphthalen-1-ylbenzamide;hydrochloride (PubChem CID 18945193) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is N-(diaminomethylidene)-3-naphthalen-1-ylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(diaminomethylidene)-3-naphthalen-1-ylbenzamide;hydrochloride
PubChem CID18945193
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC NameN-(diaminomethylidene)-3-naphthalen-1-ylbenzamide;hydrochloride
SMILESCl.NC(N)=NC(=O)c1cccc(-c2cccc3ccccc23)c1
InChIInChI=1S/C18H15N3O.ClH/c19-18(20)21-17(22)14-8-3-7-13(11-14)16-10-4-6-12-5-1-2-9-15(12)16;/h1-11H,(H4,19,20,21,22);1H
InChIKeyAJLCFQXWAGDHAX-UHFFFAOYSA-N
XLogP3.34
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.34
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'}

Analyze N-(diaminomethylidene)-3-naphthalen-1-ylbenzamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(diaminomethylidene)-8-naphthalen-1-ylnaphthalene-2-carboxamide
CID 58553394
8-(4-chlorophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide
CID 58553229
N-(diaminomethylidene)-8-(4-fluorophenyl)naphthalene-2-carboxamide
CID 58553663
N-(diaminomethylidene)-8-(2-methyl-4-pyridinyl)naphthalene-2-carboxamide
CID 58553352
8-(2-cyanophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide
CID 70227845
(Z)-2-iodo-3-(3-naphthalen-1-ylphenyl)pent-2-enoic acid
CID 118633025
N-(diaminomethylidene)-8-(2,4,6-trifluorophenyl)naphthalene-2-carboxamide
CID 46865262
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
8-(2-chloro-3-pyridinyl)-N-(diaminomethylidene)naphthalene-2-carboxamide
CID 58553503
8-(4-chloro-2-fluorophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide
CID 58553241
5-(3-acetamidophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide;5-(4-acetamidophenyl)-N-(diaminomethylidene)naphthalene-2-carboxamide;N-(diaminomethylidene)-5-[4-(methanesulfonamido)phenyl]naphthalene-2-carboxamide
CID 161417442

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-3-naphthalen-1-ylbenzamide;hydrochloride?
The IUPAC name of N-(diaminomethylidene)-3-naphthalen-1-ylbenzamide;hydrochloride (CID 18945193) is N-(diaminomethylidene)-3-naphthalen-1-ylbenzamide;hydrochloride.
What is the SMILES notation for N-(diaminomethylidene)-3-naphthalen-1-ylbenzamide;hydrochloride?
The canonical SMILES for N-(diaminomethylidene)-3-naphthalen-1-ylbenzamide;hydrochloride is Cl.NC(N)=NC(=O)c1cccc(-c2cccc3ccccc23)c1.
What is the InChIKey of N-(diaminomethylidene)-3-naphthalen-1-ylbenzamide;hydrochloride?
The InChIKey is AJLCFQXWAGDHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O.ClH/c19-18(20)21-17(22)14-8-3-7-13(11-14)16-10-4-6-12-5-1-2-9-15(12)16;/h1-11H,(H4,19,20,21,22);1H.
What are the key properties of N-(diaminomethylidene)-3-naphthalen-1-ylbenzamide;hydrochloride?
N-(diaminomethylidene)-3-naphthalen-1-ylbenzamide;hydrochloride has a molecular weight of 325.80 g/mol, XLogP of 3.34, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-3-naphthalen-1-ylbenzamide;hydrochloride is sourced from PubChem (CID 18945193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).