N-(diaminomethylidene)-4-(3-phenylphenyl)-2H-chromene-6-carboxamide

C23H19N3O2 — CID 58406656

IUPACN-(diaminomethylidene)-4-(3-phenylphenyl)-2H-chromene-6-carboxamide
SMILESNC(N)=NC(=O)c1ccc2c(c1)C(c1cccc(-c3ccccc3)c1)=CCO2
InChIInChI=1S/C23H19N3O2/c24-23(25)26-22(27)18-9-10-21-20(14-18)19(11-12-28-21)17-8-4-7-16(13-17)15-5-2-1-3-6-15/h1-11,13-14H,12H2,(H4,24,25,26,27)
InChIKeyYHFGGCRFFWPESD-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.59
Rot. Bonds3

About N-(diaminomethylidene)-4-(3-phenylphenyl)-2H-chromene-6-carboxamide

N-(diaminomethylidene)-4-(3-phenylphenyl)-2H-chromene-6-carboxamide (PubChem CID 58406656) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-(diaminomethylidene)-4-(3-phenylphenyl)-2H-chromene-6-carboxamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-4-(3-phenylphenyl)-2H-chromene-6-carboxamide
PubChem CID58406656
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC NameN-(diaminomethylidene)-4-(3-phenylphenyl)-2H-chromene-6-carboxamide
SMILESNC(N)=NC(=O)c1ccc2c(c1)C(c1cccc(-c3ccccc3)c1)=CCO2
InChIInChI=1S/C23H19N3O2/c24-23(25)26-22(27)18-9-10-21-20(14-18)19(11-12-28-21)17-8-4-7-16(13-17)15-5-2-1-3-6-15/h1-11,13-14H,12H2,(H4,24,25,26,27)
InChIKeyYHFGGCRFFWPESD-UHFFFAOYSA-N
XLogP3.59
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(diaminomethylidene)-4-phenyl-2H-chromene-6-carboxamide
CID 58407018
N-(diaminomethylidene)-4-(2-methoxyphenyl)-2H-chromene-6-carboxamide
CID 58407485
4-[2,4-bis(trifluoromethyl)phenyl]-N-(diaminomethylidene)-2H-chromene-6-carboxamide
CID 88911383
N-(diaminomethylidene)-4-(2,6-difluoro-4-methoxyphenyl)-2H-chromene-6-carboxamide
CID 25190262
N-(diaminomethylidene)-2,2-dimethyl-4-phenylchromene-6-carboxamide
CID 58406678
N-(diaminomethylidene)-4-phenylspiro[chromene-2,1'-cyclopentane]-6-carboxamide
CID 58407516
6-phenyl-2H-chromene-4-carboxylic acid
CID 82087891
4-phenyl-2H-chromene
CID 11063647
4-(3-methylphenyl)-2H-chromene
CID 102023615
N-(diaminomethylidene)-2-methyl-4-(1-methyl-2H-pyridin-4-yl)-2H-chromene-6-carboxamide
CID 143762508
methyl 5-phenyl-2,3-dihydro-1-benzoxepine-7-carboxylate
CID 58406511
N-(diaminomethylidene)-4-(2-methoxyphenyl)-2,2-dimethylchromene-6-carboxamide
CID 58406629

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-4-(3-phenylphenyl)-2H-chromene-6-carboxamide?
The IUPAC name of N-(diaminomethylidene)-4-(3-phenylphenyl)-2H-chromene-6-carboxamide (CID 58406656) is N-(diaminomethylidene)-4-(3-phenylphenyl)-2H-chromene-6-carboxamide.
What is the SMILES notation for N-(diaminomethylidene)-4-(3-phenylphenyl)-2H-chromene-6-carboxamide?
The canonical SMILES for N-(diaminomethylidene)-4-(3-phenylphenyl)-2H-chromene-6-carboxamide is NC(N)=NC(=O)c1ccc2c(c1)C(c1cccc(-c3ccccc3)c1)=CCO2.
What is the InChIKey of N-(diaminomethylidene)-4-(3-phenylphenyl)-2H-chromene-6-carboxamide?
The InChIKey is YHFGGCRFFWPESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c24-23(25)26-22(27)18-9-10-21-20(14-18)19(11-12-28-21)17-8-4-7-16(13-17)15-5-2-1-3-6-15/h1-11,13-14H,12H2,(H4,24,25,26,27).
What are the key properties of N-(diaminomethylidene)-4-(3-phenylphenyl)-2H-chromene-6-carboxamide?
N-(diaminomethylidene)-4-(3-phenylphenyl)-2H-chromene-6-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-4-(3-phenylphenyl)-2H-chromene-6-carboxamide is sourced from PubChem (CID 58406656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).