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

C23H16FNO3 — CID 18568712

IUPACN-[2-(2-fluorophenyl)-4-oxochromen-6-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1
InChIInChI=1S/C23H16FNO3/c1-14-6-2-3-7-16(14)23(27)25-15-10-11-21-18(12-15)20(26)13-22(28-21)17-8-4-5-9-19(17)24/h2-13H,1H3,(H,25,27)
InChIKeyKBVQHYRLDADPCI-UHFFFAOYSA-N
MW373.38 g/mol
LogP5.16
Rot. Bonds3

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

N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]-2-methylbenzamide (PubChem CID 18568712) has the molecular formula C23H16FNO3 and a molecular weight of 373.38 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-4-oxochromen-6-yl]-2-methylbenzamide
PubChem CID18568712
Molecular FormulaC23H16FNO3
Molecular Weight373.38 g/mol
Exact Mass373.11
IUPAC NameN-[2-(2-fluorophenyl)-4-oxochromen-6-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1
InChIInChI=1S/C23H16FNO3/c1-14-6-2-3-7-16(14)23(27)25-15-10-11-21-18(12-15)20(26)13-22(28-21)17-8-4-5-9-19(17)24/h2-13H,1H3,(H,25,27)
InChIKeyKBVQHYRLDADPCI-UHFFFAOYSA-N
XLogP5.16
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.38
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]benzamide
CID 18568768
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-(4-tert-butylphenyl)-4-oxochromen-6-yl]-2-fluorobenzamide
CID 18568810
N-[2-(2-methylphenyl)-4-oxochromen-6-yl]pyridine-2-carboxamide
CID 16825912
2-methyl-N-(9-oxoxanthen-3-yl)benzamide
CID 23472165
2-methoxy-N-[2-(4-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568744
N-[2-(2-methylphenyl)-4-oxochromen-6-yl]cyclohexanecarboxamide
CID 18568687
2-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)benzamide
CID 53007873
2-methoxy-N-[2-(3-methylphenyl)-4-oxochromen-6-yl]benzamide
CID 18568743
3,4-dimethoxy-N-[2-(2-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 16801698
2-bromo-N-[2-(4-methoxyphenyl)-4-oxochromen-6-yl]benzamide
CID 18568849

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]-2-methylbenzamide?
The IUPAC name of N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]-2-methylbenzamide (CID 18568712) is N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]-2-methylbenzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1.
What is the InChIKey of N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]-2-methylbenzamide?
The InChIKey is KBVQHYRLDADPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FNO3/c1-14-6-2-3-7-16(14)23(27)25-15-10-11-21-18(12-15)20(26)13-22(28-21)17-8-4-5-9-19(17)24/h2-13H,1H3,(H,25,27).
What are the key properties of N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]-2-methylbenzamide?
N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]-2-methylbenzamide has a molecular weight of 373.38 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-4-oxochromen-6-yl]-2-methylbenzamide is sourced from PubChem (CID 18568712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).