N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide

C18H14ClNO4 — CID 5262992

IUPACN-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide
SMILESCCOc1ccc2cc(C(=O)Nc3ccccc3Cl)c(=O)oc2c1
InChIInChI=1S/C18H14ClNO4/c1-2-23-12-8-7-11-9-13(18(22)24-16(11)10-12)17(21)20-15-6-4-3-5-14(15)19/h3-10H,2H2,1H3,(H,20,21)
InChIKeyXVABECRIDZCKEL-UHFFFAOYSA-N
MW343.77 g/mol
LogP4.10
Rot. Bonds4

About N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide

N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide (PubChem CID 5262992) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide
PubChem CID5262992
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC NameN-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide
SMILESCCOc1ccc2cc(C(=O)Nc3ccccc3Cl)c(=O)oc2c1
InChIInChI=1S/C18H14ClNO4/c1-2-23-12-8-7-11-9-13(18(22)24-16(11)10-12)17(21)20-15-6-4-3-5-14(15)19/h3-10H,2H2,1H3,(H,20,21)
InChIKeyXVABECRIDZCKEL-UHFFFAOYSA-N
XLogP4.10
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(7-ethoxy-2-oxochromene-3-carbonyl)amino]benzoate
CID 5262911
N-[2-chloro-5-(trifluoromethyl)phenyl]-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262644
N-(2,5-dimethylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262710
7-ethoxy-2-oxo-N-(4-phenyldiazenylphenyl)chromene-3-carboxamide
CID 5262935
N-(3-chloro-2-methylphenyl)-7-methoxy-2-oxochromene-3-carboxamide
CID 5262140
7-ethoxy-N-(4-ethylphenyl)-2-oxochromene-3-carboxamide
CID 5262694
7-ethoxy-3-(7-ethoxy-2-oxochromene-3-carbonyl)chromen-2-one
CID 139788868
N'-(2-bromobenzoyl)-7-ethoxy-2-oxochromene-3-carbohydrazide
CID 5263152
N-(4-butylphenyl)-7-ethoxy-2-oxochromene-3-carboxamide
CID 5262639
7-(diethylamino)-N-(2-ethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1152097
7-ethoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide
CID 5262767
7-ethoxy-N-(furan-2-ylmethyl)-2-oxochromene-3-carboxamide
CID 5262910

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide (CID 5262992) is N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide is CCOc1ccc2cc(C(=O)Nc3ccccc3Cl)c(=O)oc2c1.
What is the InChIKey of N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide?
The InChIKey is XVABECRIDZCKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/c1-2-23-12-8-7-11-9-13(18(22)24-16(11)10-12)17(21)20-15-6-4-3-5-14(15)19/h3-10H,2H2,1H3,(H,20,21).
What are the key properties of N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide?
N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide has a molecular weight of 343.77 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-7-ethoxy-2-oxochromene-3-carboxamide is sourced from PubChem (CID 5262992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).