N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-oxochromene-2-carboxamide

C19H16ClNO5 — CID 47081673

IUPACN-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-oxochromene-2-carboxamide
SMILESCOCCOc1c(Cl)cccc1NC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H16ClNO5/c1-24-9-10-25-18-13(20)6-4-7-14(18)21-19(23)17-11-15(22)12-5-2-3-8-16(12)26-17/h2-8,11H,9-10H2,1H3,(H,21,23)
InChIKeyZAKOVJNMQOPYQD-UHFFFAOYSA-N
MW373.79 g/mol
LogP3.72
Rot. Bonds6

About N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-oxochromene-2-carboxamide

N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-oxochromene-2-carboxamide (PubChem CID 47081673) has the molecular formula C19H16ClNO5 and a molecular weight of 373.79 g/mol. Its IUPAC name is N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-oxochromene-2-carboxamide
PubChem CID47081673
Molecular FormulaC19H16ClNO5
Molecular Weight373.79 g/mol
Exact Mass373.07
IUPAC NameN-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-oxochromene-2-carboxamide
SMILESCOCCOc1c(Cl)cccc1NC(=O)c1cc(=O)c2ccccc2o1
InChIInChI=1S/C19H16ClNO5/c1-24-9-10-25-18-13(20)6-4-7-14(18)21-19(23)17-11-15(22)12-5-2-3-8-16(12)26-17/h2-8,11H,9-10H2,1H3,(H,21,23)
InChIKeyZAKOVJNMQOPYQD-UHFFFAOYSA-N
XLogP3.72
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.79
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-4-oxochromene-2-carboxamide
CID 892812
1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-(4-phenylbutan-2-yl)urea
CID 60594908
N-(2-hydroxy-4-methylphenyl)-4-oxochromene-2-carboxamide
CID 2474419
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-oxochromene-2-carboxamide
CID 17014479
2-(4-aminophenyl)-N-[3-chloro-2-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 86813908
N-(3-chloropyrazin-2-yl)-4-oxochromene-2-carboxamide
CID 102989525
3-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119753562
N-(5-fluoro-2-methylphenyl)-4-oxochromene-2-carboxamide
CID 9097785
N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
CID 3536636
N-(5-ethoxyquinolin-8-yl)-4-oxochromene-2-carboxamide
CID 166216438
N-(2-chloro-5-pyrrolidin-1-ylsulfonylphenyl)-4-oxochromene-2-carboxamide
CID 4077487
N-(3-chloro-2-methylphenyl)-8-methyl-4-oxochromene-2-carboxamide
CID 19119023

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-oxochromene-2-carboxamide (CID 47081673) is N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-oxochromene-2-carboxamide is COCCOc1c(Cl)cccc1NC(=O)c1cc(=O)c2ccccc2o1.
What is the InChIKey of N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-oxochromene-2-carboxamide?
The InChIKey is ZAKOVJNMQOPYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO5/c1-24-9-10-25-18-13(20)6-4-7-14(18)21-19(23)17-11-15(22)12-5-2-3-8-16(12)26-17/h2-8,11H,9-10H2,1H3,(H,21,23).
What are the key properties of N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-oxochromene-2-carboxamide?
N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-oxochromene-2-carboxamide has a molecular weight of 373.79 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 47081673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).