6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-4-oxochromene-2-carboxamide

C14H13ClN2O4 — CID 9481083

IUPAC6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-4-oxochromene-2-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1
InChIInChI=1S/C14H13ClN2O4/c1-17(2)13(19)7-16-14(20)12-6-10(18)9-5-8(15)3-4-11(9)21-12/h3-6H,7H2,1-2H3,(H,16,20)
InChIKeyCKEKCXXWDBXQKR-UHFFFAOYSA-N
MW308.72 g/mol
LogP1.26
Rot. Bonds3

About 6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-4-oxochromene-2-carboxamide

6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-4-oxochromene-2-carboxamide (PubChem CID 9481083) has the molecular formula C14H13ClN2O4 and a molecular weight of 308.72 g/mol. Its IUPAC name is 6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-4-oxochromene-2-carboxamide
PubChem CID9481083
Molecular FormulaC14H13ClN2O4
Molecular Weight308.72 g/mol
Exact Mass308.06
IUPAC Name6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-4-oxochromene-2-carboxamide
SMILESCN(C)C(=O)CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1
InChIInChI=1S/C14H13ClN2O4/c1-17(2)13(19)7-16-14(20)12-6-10(18)9-5-8(15)3-4-11(9)21-12/h3-6H,7H2,1-2H3,(H,16,20)
InChIKeyCKEKCXXWDBXQKR-UHFFFAOYSA-N
XLogP1.26
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.72
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[(2R)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-oxochromene-2-carboxamide
CID 26834060
6-chloro-N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride
CID 146052662
6-chloro-N-(4-chlorophenyl)-4-oxochromene-2-carboxamide
CID 9068735
6-chloro-4-oxo-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]chromene-2-carboxamide
CID 8546439
N-(4-tert-butylphenyl)-6-chloro-4-oxochromene-2-carboxamide
CID 9203867
6-chloro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxochromene-2-carboxamide
CID 18775293
6-chloro-N-(4-fluorophenyl)-4-oxochromene-2-carboxamide
CID 9040132
6-chloro-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 45155230
6-chloro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 35574606
6-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-4-oxochromene-2-carboxamide
CID 9473761
1-[(6-chloro-4-oxochromene-2-carbonyl)amino]-3-(4-chlorophenyl)thiourea
CID 9317388
6-chloro-N-(5-fluoro-2,4-dimethoxyphenyl)-4-oxochromene-2-carboxamide
CID 99585387

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of 6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-4-oxochromene-2-carboxamide (CID 9481083) is 6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-4-oxochromene-2-carboxamide is CN(C)C(=O)CNC(=O)c1cc(=O)c2cc(Cl)ccc2o1.
What is the InChIKey of 6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-4-oxochromene-2-carboxamide?
The InChIKey is CKEKCXXWDBXQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O4/c1-17(2)13(19)7-16-14(20)12-6-10(18)9-5-8(15)3-4-11(9)21-12/h3-6H,7H2,1-2H3,(H,16,20).
What are the key properties of 6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-4-oxochromene-2-carboxamide?
6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-4-oxochromene-2-carboxamide has a molecular weight of 308.72 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(dimethylamino)-2-oxoethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 9481083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).