2-chloro-N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]benzamide

C22H13ClFNO3 — CID 18568768

IUPAC2-chloro-N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]benzamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1)c1ccccc1Cl
InChIInChI=1S/C22H13ClFNO3/c23-17-7-3-1-5-14(17)22(27)25-13-9-10-20-16(11-13)19(26)12-21(28-20)15-6-2-4-8-18(15)24/h1-12H,(H,25,27)
InChIKeyFYSDULAUGOEOIE-UHFFFAOYSA-N
MW393.80 g/mol
LogP5.50
Rot. Bonds3

About 2-chloro-N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]benzamide

2-chloro-N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]benzamide (PubChem CID 18568768) has the molecular formula C22H13ClFNO3 and a molecular weight of 393.80 g/mol. Its IUPAC name is 2-chloro-N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]benzamide
PubChem CID18568768
Molecular FormulaC22H13ClFNO3
Molecular Weight393.80 g/mol
Exact Mass393.06
IUPAC Name2-chloro-N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]benzamide
SMILESO=C(Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1)c1ccccc1Cl
InChIInChI=1S/C22H13ClFNO3/c23-17-7-3-1-5-14(17)22(27)25-13-9-10-20-16(11-13)19(26)12-21(28-20)15-6-2-4-8-18(15)24/h1-12H,(H,25,27)
InChIKeyFYSDULAUGOEOIE-UHFFFAOYSA-N
XLogP5.50
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.80
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]-2-methylbenzamide
CID 18568712
N-[2-(4-tert-butylphenyl)-4-oxochromen-6-yl]-2-fluorobenzamide
CID 18568810
N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]-2-methylbenzamide
CID 18568738
4-fluoro-N-[2-(2-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568714
N-[2-(2-chlorophenyl)-4-oxochromen-6-yl]-2-methoxyacetamide
CID 42571450
N-[2-(2-methylphenyl)-4-oxochromen-6-yl]pyridine-2-carboxamide
CID 16825912
6-chloro-2-(2-chlorophenyl)chromen-4-one
CID 688872
2-methoxy-N-[2-(4-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568744
2-(2-chlorophenyl)-6-hydroxychromen-4-one
CID 14982999
2,4-dichloro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1085270
2-chloro-N-(2-oxochromen-6-yl)benzamide
CID 965741
3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 16801698

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]benzamide (CID 18568768) is 2-chloro-N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]benzamide is O=C(Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]benzamide?
The InChIKey is FYSDULAUGOEOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13ClFNO3/c23-17-7-3-1-5-14(17)22(27)25-13-9-10-20-16(11-13)19(26)12-21(28-20)15-6-2-4-8-18(15)24/h1-12H,(H,25,27).
What are the key properties of 2-chloro-N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]benzamide?
2-chloro-N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]benzamide has a molecular weight of 393.80 g/mol, XLogP of 5.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]benzamide is sourced from PubChem (CID 18568768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).