N-(diaminomethylidene)-8-(2,4-difluoro-6-isocyanophenyl)naphthalene-2-carboxamide

C19H12F2N4O — CID 58553427

IUPACN-(diaminomethylidene)-8-(2,4-difluoro-6-isocyanophenyl)naphthalene-2-carboxamide
SMILES[C-]#[N+]c1cc(F)cc(F)c1-c1cccc2ccc(C(=O)N=C(N)N)cc12
InChIInChI=1S/C19H12F2N4O/c1-24-16-9-12(20)8-15(21)17(16)13-4-2-3-10-5-6-11(7-14(10)13)18(26)25-19(22)23/h2-9H,(H4,22,23,25,26)
InChIKeyBZCZMSORFUVGTA-UHFFFAOYSA-N
MW350.33 g/mol
LogP3.75
Rot. Bonds2

About N-(diaminomethylidene)-8-(2,4-difluoro-6-isocyanophenyl)naphthalene-2-carboxamide

N-(diaminomethylidene)-8-(2,4-difluoro-6-isocyanophenyl)naphthalene-2-carboxamide (PubChem CID 58553427) has the molecular formula C19H12F2N4O and a molecular weight of 350.33 g/mol. Its IUPAC name is N-(diaminomethylidene)-8-(2,4-difluoro-6-isocyanophenyl)naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-8-(2,4-difluoro-6-isocyanophenyl)naphthalene-2-carboxamide
PubChem CID58553427
Molecular FormulaC19H12F2N4O
Molecular Weight350.33 g/mol
Exact Mass350.10
IUPAC NameN-(diaminomethylidene)-8-(2,4-difluoro-6-isocyanophenyl)naphthalene-2-carboxamide
SMILES[C-]#[N+]c1cc(F)cc(F)c1-c1cccc2ccc(C(=O)N=C(N)N)cc12
InChIInChI=1S/C19H12F2N4O/c1-24-16-9-12(20)8-15(21)17(16)13-4-2-3-10-5-6-11(7-14(10)13)18(26)25-19(22)23/h2-9H,(H4,22,23,25,26)
InChIKeyBZCZMSORFUVGTA-UHFFFAOYSA-N
XLogP3.75
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(diaminomethylidene)-8-(2,4-difluoro-6-isocyanophenyl)naphthalene-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-8-(2,4-difluoro-6-isocyanophenyl)naphthalene-2-carboxamide?
The IUPAC name of N-(diaminomethylidene)-8-(2,4-difluoro-6-isocyanophenyl)naphthalene-2-carboxamide (CID 58553427) is N-(diaminomethylidene)-8-(2,4-difluoro-6-isocyanophenyl)naphthalene-2-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-8-(2,4-difluoro-6-isocyanophenyl)naphthalene-2-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-8-(2,4-difluoro-6-isocyanophenyl)naphthalene-2-carboxamide is [C-]#[N+]c1cc(F)cc(F)c1-c1cccc2ccc(C(=O)N=C(N)N)cc12.
What is the InChIKey of N-(diaminomethylidene)-8-(2,4-difluoro-6-isocyanophenyl)naphthalene-2-carboxamide?
The InChIKey is BZCZMSORFUVGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4O/c1-24-16-9-12(20)8-15(21)17(16)13-4-2-3-10-5-6-11(7-14(10)13)18(26)25-19(22)23/h2-9H,(H4,22,23,25,26).
What are the key properties of N-(diaminomethylidene)-8-(2,4-difluoro-6-isocyanophenyl)naphthalene-2-carboxamide?
N-(diaminomethylidene)-8-(2,4-difluoro-6-isocyanophenyl)naphthalene-2-carboxamide has a molecular weight of 350.33 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-8-(2,4-difluoro-6-isocyanophenyl)naphthalene-2-carboxamide is sourced from PubChem (CID 58553427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).