N-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide

C17H14ClNO3 — CID 1478813

IUPACN-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C=C(C(=O)Nc1cccc(Cl)c1)CO2
InChIInChI=1S/C17H14ClNO3/c1-21-15-5-6-16-11(8-15)7-12(10-22-16)17(20)19-14-4-2-3-13(18)9-14/h2-9H,10H2,1H3,(H,19,20)
InChIKeyLMLAXVSKBZDEMS-UHFFFAOYSA-N
MW315.76 g/mol
LogP3.76
Rot. Bonds3

About N-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide

N-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide (PubChem CID 1478813) has the molecular formula C17H14ClNO3 and a molecular weight of 315.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide
PubChem CID1478813
Molecular FormulaC17H14ClNO3
Molecular Weight315.76 g/mol
Exact Mass315.07
IUPAC NameN-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C=C(C(=O)Nc1cccc(Cl)c1)CO2
InChIInChI=1S/C17H14ClNO3/c1-21-15-5-6-16-11(8-15)7-12(10-22-16)17(20)19-14-4-2-3-13(18)9-14/h2-9H,10H2,1H3,(H,19,20)
InChIKeyLMLAXVSKBZDEMS-UHFFFAOYSA-N
XLogP3.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dimethylphenyl)-6-methoxy-2H-chromene-3-carboxamide
CID 22578350
N-(3,5-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide
CID 46488602
N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 1478817
N-[3-[ethyl(methyl)amino]phenyl]-7-methoxy-2H-chromene-3-carboxamide
CID 86878702
N-(3,4-dimethoxyphenyl)-6-ethoxy-2H-chromene-3-carboxamide
CID 46484911
N-(3-chlorophenyl)-2-hydroxy-4-methoxybenzamide
CID 5274047
N-[(3-fluorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 22578403
methyl 4-chloro-2-[(6-chloro-2H-chromene-3-carbonyl)amino]benzoate
CID 16652219
N-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxy-2H-chromene-3-carboxamide
CID 119456581
N-(3-methylphenyl)-2H-chromene-3-carboxamide
CID 7464936
N-[4-chloro-2-(ethylcarbamoyl)phenyl]-7-methoxy-2H-chromene-3-carboxamide
CID 86903483
N-(3-chlorophenyl)-7-methoxy-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 50812434

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide (CID 1478813) is N-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide is COc1ccc2c(c1)C=C(C(=O)Nc1cccc(Cl)c1)CO2.
What is the InChIKey of N-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide?
The InChIKey is LMLAXVSKBZDEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3/c1-21-15-5-6-16-11(8-15)7-12(10-22-16)17(20)19-14-4-2-3-13(18)9-14/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of N-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide?
N-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide has a molecular weight of 315.76 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide is sourced from PubChem (CID 1478813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).