6-chloro-N-(3-methoxyphenyl)-2-phenyliminochromene-3-carboxamide

C23H17ClN2O3 — CID 3577385

IUPAC6-chloro-N-(3-methoxyphenyl)-2-phenyliminochromene-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccccc2)c1
InChIInChI=1S/C23H17ClN2O3/c1-28-19-9-5-8-18(14-19)25-22(27)20-13-15-12-16(24)10-11-21(15)29-23(20)26-17-6-3-2-4-7-17/h2-14H,1H3,(H,25,27)/b26-23-
InChIKeyQASJKSDFJAMADO-RWEWTDSWSA-N
MW404.85 g/mol
LogP5.58
Rot. Bonds4

About 6-chloro-N-(3-methoxyphenyl)-2-phenyliminochromene-3-carboxamide

6-chloro-N-(3-methoxyphenyl)-2-phenyliminochromene-3-carboxamide (PubChem CID 3577385) has the molecular formula C23H17ClN2O3 and a molecular weight of 404.85 g/mol. Its IUPAC name is 6-chloro-N-(3-methoxyphenyl)-2-phenyliminochromene-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(3-methoxyphenyl)-2-phenyliminochromene-3-carboxamide
PubChem CID3577385
Molecular FormulaC23H17ClN2O3
Molecular Weight404.85 g/mol
Exact Mass404.09
IUPAC Name6-chloro-N-(3-methoxyphenyl)-2-phenyliminochromene-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccccc2)c1
InChIInChI=1S/C23H17ClN2O3/c1-28-19-9-5-8-18(14-19)25-22(27)20-13-15-12-16(24)10-11-21(15)29-23(20)26-17-6-3-2-4-7-17/h2-14H,1H3,(H,25,27)/b26-23-
InChIKeyQASJKSDFJAMADO-RWEWTDSWSA-N
XLogP5.58
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.85
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-2-(4-methylphenyl)iminochromene-3-carboxamide
CID 3963313
6-bromo-N-(4-methoxyphenyl)-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 35218231
6-bromo-N-(3-methoxyphenyl)-2-(2-methoxyphenyl)iminochromene-3-carboxamide
CID 4297288
4-[[3-[(3-chloro-4-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoate
CID 4072902
(2Z)-2-[(4-chlorophenyl)sulfonylhydrazinylidene]-N-(3-methoxyphenyl)chromene-3-carboxamide
CID 6893587
5-methoxy-N-phenyl-2-phenyliminochromene-3-carboxamide
CID 132514215
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 3303332
2-(3-methoxyphenyl)imino-N-(6-methyl-2-pyridinyl)chromene-3-carboxamide
CID 51367823
6-bromo-2-(3-methoxyphenyl)imino-N-pyridin-2-ylchromene-3-carboxamide
CID 51367432
4-[[3-[(2-fluorophenyl)carbamoyl]-6-methoxychromen-2-ylidene]amino]benzoic acid
CID 23766700
6-methoxy-2-(3-methoxyphenyl)iminochromene-3-carboxamide
CID 4555471
2-(4-carbamoylphenyl)imino-N-(4-methoxyphenyl)chromene-3-carboxamide
CID 51368024

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-methoxyphenyl)-2-phenyliminochromene-3-carboxamide?
The IUPAC name of 6-chloro-N-(3-methoxyphenyl)-2-phenyliminochromene-3-carboxamide (CID 3577385) is 6-chloro-N-(3-methoxyphenyl)-2-phenyliminochromene-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(3-methoxyphenyl)-2-phenyliminochromene-3-carboxamide?
The canonical SMILES for 6-chloro-N-(3-methoxyphenyl)-2-phenyliminochromene-3-carboxamide is COc1cccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccccc2)c1.
What is the InChIKey of 6-chloro-N-(3-methoxyphenyl)-2-phenyliminochromene-3-carboxamide?
The InChIKey is QASJKSDFJAMADO-RWEWTDSWSA-N. The full InChI is InChI=1S/C23H17ClN2O3/c1-28-19-9-5-8-18(14-19)25-22(27)20-13-15-12-16(24)10-11-21(15)29-23(20)26-17-6-3-2-4-7-17/h2-14H,1H3,(H,25,27)/b26-23-.
What are the key properties of 6-chloro-N-(3-methoxyphenyl)-2-phenyliminochromene-3-carboxamide?
6-chloro-N-(3-methoxyphenyl)-2-phenyliminochromene-3-carboxamide has a molecular weight of 404.85 g/mol, XLogP of 5.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-methoxyphenyl)-2-phenyliminochromene-3-carboxamide is sourced from PubChem (CID 3577385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).