N-(4-chlorophenyl)-2H-chromene-3-carboxamide

C16H12ClNO2 — CID 1475940

IUPACN-(4-chlorophenyl)-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1=Cc2ccccc2OC1
InChIInChI=1S/C16H12ClNO2/c17-13-5-7-14(8-6-13)18-16(19)12-9-11-3-1-2-4-15(11)20-10-12/h1-9H,10H2,(H,18,19)
InChIKeyHAUSGRVPECZHPC-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.75
Rot. Bonds2

About N-(4-chlorophenyl)-2H-chromene-3-carboxamide

N-(4-chlorophenyl)-2H-chromene-3-carboxamide (PubChem CID 1475940) has the molecular formula C16H12ClNO2 and a molecular weight of 285.73 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2H-chromene-3-carboxamide
PubChem CID1475940
Molecular FormulaC16H12ClNO2
Molecular Weight285.73 g/mol
Exact Mass285.06
IUPAC NameN-(4-chlorophenyl)-2H-chromene-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1=Cc2ccccc2OC1
InChIInChI=1S/C16H12ClNO2/c17-13-5-7-14(8-6-13)18-16(19)12-9-11-3-1-2-4-15(11)20-10-12/h1-9H,10H2,(H,18,19)
InChIKeyHAUSGRVPECZHPC-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-chlorophenyl)-2H-chromene-3-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-(4-chlorophenyl)-2H-chromene-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2H-chromene-3-carboxamide (CID 1475940) is N-(4-chlorophenyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2H-chromene-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2H-chromene-3-carboxamide is O=C(Nc1ccc(Cl)cc1)C1=Cc2ccccc2OC1.
What is the InChIKey of N-(4-chlorophenyl)-2H-chromene-3-carboxamide?
The InChIKey is HAUSGRVPECZHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO2/c17-13-5-7-14(8-6-13)18-16(19)12-9-11-3-1-2-4-15(11)20-10-12/h1-9H,10H2,(H,18,19).
What are the key properties of N-(4-chlorophenyl)-2H-chromene-3-carboxamide?
N-(4-chlorophenyl)-2H-chromene-3-carboxamide has a molecular weight of 285.73 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 1475940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).