N-(5-chloro-2-methoxyphenyl)-N-methyl-1-oxoisochromene-4-carboxamide

C18H14ClNO4 — CID 4179677

IUPACN-(5-chloro-2-methoxyphenyl)-N-methyl-1-oxoisochromene-4-carboxamide
SMILESCOc1ccc(Cl)cc1N(C)C(=O)c1coc(=O)c2ccccc12
InChIInChI=1S/C18H14ClNO4/c1-20(15-9-11(19)7-8-16(15)23-2)17(21)14-10-24-18(22)13-6-4-3-5-12(13)14/h3-10H,1-2H3
InChIKeyIYKFKVDHNUCSAK-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.73
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-N-methyl-1-oxoisochromene-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-N-methyl-1-oxoisochromene-4-carboxamide (PubChem CID 4179677) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-N-methyl-1-oxoisochromene-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-N-methyl-1-oxoisochromene-4-carboxamide
PubChem CID4179677
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC NameN-(5-chloro-2-methoxyphenyl)-N-methyl-1-oxoisochromene-4-carboxamide
SMILESCOc1ccc(Cl)cc1N(C)C(=O)c1coc(=O)c2ccccc12
InChIInChI=1S/C18H14ClNO4/c1-20(15-9-11(19)7-8-16(15)23-2)17(21)14-10-24-18(22)13-6-4-3-5-12(13)14/h3-10H,1-2H3
InChIKeyIYKFKVDHNUCSAK-UHFFFAOYSA-N
XLogP3.73
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-N-methyl-1-oxoisochromene-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-N-methyl-1-oxoisochromene-4-carboxamide (CID 4179677) is N-(5-chloro-2-methoxyphenyl)-N-methyl-1-oxoisochromene-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-N-methyl-1-oxoisochromene-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-N-methyl-1-oxoisochromene-4-carboxamide is COc1ccc(Cl)cc1N(C)C(=O)c1coc(=O)c2ccccc12.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-N-methyl-1-oxoisochromene-4-carboxamide?
The InChIKey is IYKFKVDHNUCSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/c1-20(15-9-11(19)7-8-16(15)23-2)17(21)14-10-24-18(22)13-6-4-3-5-12(13)14/h3-10H,1-2H3.
What are the key properties of N-(5-chloro-2-methoxyphenyl)-N-methyl-1-oxoisochromene-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-N-methyl-1-oxoisochromene-4-carboxamide has a molecular weight of 343.77 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-N-methyl-1-oxoisochromene-4-carboxamide is sourced from PubChem (CID 4179677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).