2-chloro-N-(2-oxochromen-6-yl)benzamide

C16H10ClNO3 — CID 965741

IUPAC2-chloro-N-(2-oxochromen-6-yl)benzamide
SMILESO=C(Nc1ccc2oc(=O)ccc2c1)c1ccccc1Cl
InChIInChI=1S/C16H10ClNO3/c17-13-4-2-1-3-12(13)16(20)18-11-6-7-14-10(9-11)5-8-15(19)21-14/h1-9H,(H,18,20)
InChIKeyRFVHQNMPFSIRIJ-UHFFFAOYSA-N
MW299.71 g/mol
LogP3.70
Rot. Bonds2

About 2-chloro-N-(2-oxochromen-6-yl)benzamide

2-chloro-N-(2-oxochromen-6-yl)benzamide (PubChem CID 965741) has the molecular formula C16H10ClNO3 and a molecular weight of 299.71 g/mol. Its IUPAC name is 2-chloro-N-(2-oxochromen-6-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(2-oxochromen-6-yl)benzamide
PubChem CID965741
Molecular FormulaC16H10ClNO3
Molecular Weight299.71 g/mol
Exact Mass299.03
IUPAC Name2-chloro-N-(2-oxochromen-6-yl)benzamide
SMILESO=C(Nc1ccc2oc(=O)ccc2c1)c1ccccc1Cl
InChIInChI=1S/C16H10ClNO3/c17-13-4-2-1-3-12(13)16(20)18-11-6-7-14-10(9-11)5-8-15(19)21-14/h1-9H,(H,18,20)
InChIKeyRFVHQNMPFSIRIJ-UHFFFAOYSA-N
XLogP3.70
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-3-methyl-N-(2-oxochromen-6-yl)benzamide
CID 55978567
(2-oxochromen-6-yl)carbamic acid
CID 18427920
N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 5346060
2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3915161
2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126393
2,4-dimethoxy-N-(2-oxochromen-6-yl)benzamide
CID 6459417
2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4623545
1-(4-hydroxyphenyl)-3-(2-oxochromen-6-yl)urea
CID 99832234
2-chloro-N-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 23969242
3-bromo-N-(2-oxochromen-6-yl)-1H-indole-2-carboxamide
CID 55978070
1-(2-methoxyethyl)-N-(2-oxochromen-6-yl)indole-3-carboxamide
CID 51125764
N-(3-acetyl-4-chlorophenyl)-2-chlorobenzamide
CID 22888926

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-oxochromen-6-yl)benzamide?
The IUPAC name of 2-chloro-N-(2-oxochromen-6-yl)benzamide (CID 965741) is 2-chloro-N-(2-oxochromen-6-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(2-oxochromen-6-yl)benzamide?
The canonical SMILES for 2-chloro-N-(2-oxochromen-6-yl)benzamide is O=C(Nc1ccc2oc(=O)ccc2c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(2-oxochromen-6-yl)benzamide?
The InChIKey is RFVHQNMPFSIRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO3/c17-13-4-2-1-3-12(13)16(20)18-11-6-7-14-10(9-11)5-8-15(19)21-14/h1-9H,(H,18,20).
What are the key properties of 2-chloro-N-(2-oxochromen-6-yl)benzamide?
2-chloro-N-(2-oxochromen-6-yl)benzamide has a molecular weight of 299.71 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-oxochromen-6-yl)benzamide is sourced from PubChem (CID 965741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).