N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide

C18H16ClNO3 — CID 1478817

IUPACN-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C=C(C(=O)NCc1ccc(Cl)cc1)CO2
InChIInChI=1S/C18H16ClNO3/c1-22-16-6-7-17-13(9-16)8-14(11-23-17)18(21)20-10-12-2-4-15(19)5-3-12/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeyHWJZSGSIIHVGIY-UHFFFAOYSA-N
MW329.78 g/mol
LogP3.44
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide

N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide (PubChem CID 1478817) has the molecular formula C18H16ClNO3 and a molecular weight of 329.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
PubChem CID1478817
Molecular FormulaC18H16ClNO3
Molecular Weight329.78 g/mol
Exact Mass329.08
IUPAC NameN-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C=C(C(=O)NCc1ccc(Cl)cc1)CO2
InChIInChI=1S/C18H16ClNO3/c1-22-16-6-7-17-13(9-16)8-14(11-23-17)18(21)20-10-12-2-4-15(19)5-3-12/h2-9H,10-11H2,1H3,(H,20,21)
InChIKeyHWJZSGSIIHVGIY-UHFFFAOYSA-N
XLogP3.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.78
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 22578403
6-methoxy-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-2H-chromene-3-carboxamide
CID 167953925
N-[(3-methoxyphenyl)methyl]-2H-chromene-3-carboxamide
CID 9456326
N-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide
CID 1478813
methyl 2-[(6-chloro-2H-chromene-3-carbonyl)amino]acetate
CID 43408847
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-2H-chromene-3-carboxamide
CID 120654267
6-chloro-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide
CID 119504069
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 120947707
6-methoxy-N-(2-piperazin-1-ylethyl)-2H-chromene-3-carboxamide;hydrochloride
CID 119446270
6-bromo-N-[(3-chlorophenyl)methyl]-2H-chromene-3-carboxamide
CID 22578485
6-chloro-N-[(2S)-2-hydroxypropyl]-2H-chromene-3-carboxamide
CID 83059499
6-methoxy-N-(piperidin-3-ylmethyl)-2H-chromene-3-carboxamide;hydrochloride
CID 119461393

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide (CID 1478817) is N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide is COc1ccc2c(c1)C=C(C(=O)NCc1ccc(Cl)cc1)CO2.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide?
The InChIKey is HWJZSGSIIHVGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO3/c1-22-16-6-7-17-13(9-16)8-14(11-23-17)18(21)20-10-12-2-4-15(19)5-3-12/h2-9H,10-11H2,1H3,(H,20,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide?
N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide has a molecular weight of 329.78 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide is sourced from PubChem (CID 1478817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).