2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide

C17H13ClN2O3 — CID 51366970

IUPAC2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide
SMILESCOc1cccc2cc(C(N)=O)/c(=N/c3ccc(Cl)cc3)oc12
InChIInChI=1S/C17H13ClN2O3/c1-22-14-4-2-3-10-9-13(16(19)21)17(23-15(10)14)20-12-7-5-11(18)6-8-12/h2-9H,1H3,(H2,19,21)/b20-17-
InChIKeyPAZRQHDOXLUJLC-JZJYNLBNSA-N
MW328.76 g/mol
LogP3.43
Rot. Bonds3

About 2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide

2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide (PubChem CID 51366970) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide
PubChem CID51366970
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC Name2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide
SMILESCOc1cccc2cc(C(N)=O)/c(=N/c3ccc(Cl)cc3)oc12
InChIInChI=1S/C17H13ClN2O3/c1-22-14-4-2-3-10-9-13(16(19)21)17(23-15(10)14)20-12-7-5-11(18)6-8-12/h2-9H,1H3,(H2,19,21)/b20-17-
InChIKeyPAZRQHDOXLUJLC-JZJYNLBNSA-N
XLogP3.43
TPSA77.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide
CID 51366983
8-methoxy-2-(3-methylphenyl)iminochromene-3-carboxamide
CID 4038165
methyl 3-[(3-carbamoyl-8-methoxychromen-2-ylidene)amino]benzoate
CID 51366960
2-(2,4-dimethoxyphenyl)imino-8-methoxychromene-3-carboxamide
CID 51370461
2-(3-fluoro-2-methylphenyl)imino-8-methoxychromene-3-carboxamide
CID 51366994
2-[(3-chlorobenzoyl)hydrazinylidene]-8-methoxychromene-3-carboxamide
CID 39844710
2-(4-acetylphenyl)imino-8-ethoxychromene-3-carboxamide
CID 15991604
N-acetyl-2-(4-bromophenyl)imino-8-methoxychromene-3-carboxamide
CID 3885953
(2E)-N-(4-chlorophenyl)-2-hydroxyimino-8-methoxychromene-3-carboxamide
CID 5403929
8-ethoxy-2-(3-methylphenyl)iminochromene-3-carboxamide
CID 4227887
2-(4-carbamoylphenyl)imino-8-methoxy-N-(oxolan-2-ylmethyl)chromene-3-carboxamide
CID 51367191
6-bromo-2-(4-chlorophenyl)iminochromene-3-carboxamide
CID 1212142

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide (CID 51366970) is 2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide is COc1cccc2cc(C(N)=O)/c(=N/c3ccc(Cl)cc3)oc12.
What is the InChIKey of 2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide?
The InChIKey is PAZRQHDOXLUJLC-JZJYNLBNSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-22-14-4-2-3-10-9-13(16(19)21)17(23-15(10)14)20-12-7-5-11(18)6-8-12/h2-9H,1H3,(H2,19,21)/b20-17-.
What are the key properties of 2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide?
2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)imino-8-methoxychromene-3-carboxamide is sourced from PubChem (CID 51366970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).