N-(4-chlorophenyl)-2-imino-6-methoxychromene-3-carboxamide

C17H13ClN2O3 — CID 780615

IUPACN-(4-chlorophenyl)-2-imino-6-methoxychromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(OC)cc2cc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O3/c1-22-13-6-7-15-10(8-13)9-14(16(19)23-15)17(21)20-12-4-2-11(18)3-5-12/h2-9,19H,1H3,(H,20,21)/b19-16-
InChIKeyPVSGIEHBJXCLEG-MNDPQUGUSA-N
MW328.76 g/mol
LogP3.83
Rot. Bonds3

About N-(4-chlorophenyl)-2-imino-6-methoxychromene-3-carboxamide

N-(4-chlorophenyl)-2-imino-6-methoxychromene-3-carboxamide (PubChem CID 780615) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-imino-6-methoxychromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-imino-6-methoxychromene-3-carboxamide
PubChem CID780615
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC NameN-(4-chlorophenyl)-2-imino-6-methoxychromene-3-carboxamide
SMILES[H]/N=c1\oc2ccc(OC)cc2cc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C17H13ClN2O3/c1-22-13-6-7-15-10(8-13)9-14(16(19)23-15)17(21)20-12-4-2-11(18)3-5-12/h2-9,19H,1H3,(H,20,21)/b19-16-
InChIKeyPVSGIEHBJXCLEG-MNDPQUGUSA-N
XLogP3.83
TPSA75.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-imino-6-methoxychromene-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-imino-6-methoxychromene-3-carboxamide (CID 780615) is N-(4-chlorophenyl)-2-imino-6-methoxychromene-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-imino-6-methoxychromene-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-imino-6-methoxychromene-3-carboxamide is [H]/N=c1\oc2ccc(OC)cc2cc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-imino-6-methoxychromene-3-carboxamide?
The InChIKey is PVSGIEHBJXCLEG-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-22-13-6-7-15-10(8-13)9-14(16(19)23-15)17(21)20-12-4-2-11(18)3-5-12/h2-9,19H,1H3,(H,20,21)/b19-16-.
What are the key properties of N-(4-chlorophenyl)-2-imino-6-methoxychromene-3-carboxamide?
N-(4-chlorophenyl)-2-imino-6-methoxychromene-3-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 3.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-imino-6-methoxychromene-3-carboxamide is sourced from PubChem (CID 780615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).