4-fluoro-N-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]benzamide

C23H16FNO4 — CID 7678084

IUPAC4-fluoro-N-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]benzamide
SMILESCOc1ccc(-c2c(NC(=O)c3ccc(F)cc3)oc3ccccc3c2=O)cc1
InChIInChI=1S/C23H16FNO4/c1-28-17-12-8-14(9-13-17)20-21(26)18-4-2-3-5-19(18)29-23(20)25-22(27)15-6-10-16(24)11-7-15/h2-13H,1H3,(H,25,27)
InChIKeyVMEIEXBBQICDPZ-UHFFFAOYSA-N
MW389.38 g/mol
LogP4.86
Rot. Bonds4

About 4-fluoro-N-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]benzamide

4-fluoro-N-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]benzamide (PubChem CID 7678084) has the molecular formula C23H16FNO4 and a molecular weight of 389.38 g/mol. Its IUPAC name is 4-fluoro-N-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]benzamide
PubChem CID7678084
Molecular FormulaC23H16FNO4
Molecular Weight389.38 g/mol
Exact Mass389.11
IUPAC Name4-fluoro-N-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]benzamide
SMILESCOc1ccc(-c2c(NC(=O)c3ccc(F)cc3)oc3ccccc3c2=O)cc1
InChIInChI=1S/C23H16FNO4/c1-28-17-12-8-14(9-13-17)20-21(26)18-4-2-3-5-19(18)29-23(20)25-22(27)15-6-10-16(24)11-7-15/h2-13H,1H3,(H,25,27)
InChIKeyVMEIEXBBQICDPZ-UHFFFAOYSA-N
XLogP4.86
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-(3-naphthalen-1-yl-4-oxochromen-2-yl)benzamide
CID 4971299
N-[3-(4-bromophenyl)-4-oxochromen-2-yl]benzamide
CID 4900984
2-chloro-N-[3-(4-fluorophenyl)-4-oxochromen-2-yl]acetamide
CID 7463394
N-[3-(3,4-dichlorophenyl)-4-oxochromen-2-yl]-3,4-dimethoxybenzamide
CID 4905865
N-[6-chloro-3-(3,4-dimethoxyphenyl)-4-oxochromen-2-yl]-4-fluorobenzamide
CID 4898865
N-[6-chloro-3-(3-methylphenyl)-4-oxochromen-2-yl]-4-methoxybenzamide
CID 4898812
N-[3-(1,3-benzodioxol-5-yl)-4-oxochromen-2-yl]-4-tert-butylbenzamide
CID 4909608
N-[3-(3-chlorophenyl)-4-oxochromen-2-yl]benzamide
CID 4910374
dibutyl-[2-[[3-(4-fluorophenyl)-4-oxochromen-2-yl]amino]-2-oxoethyl]azanium
CID 7463114
N-[3-(4-methylphenyl)-4-oxochromen-2-yl]thiophene-2-carboxamide
CID 4870395
4-fluoro-N-[2-(3-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829898
4-fluoro-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]benzamide
CID 20925911

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]benzamide?
The IUPAC name of 4-fluoro-N-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]benzamide (CID 7678084) is 4-fluoro-N-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]benzamide is COc1ccc(-c2c(NC(=O)c3ccc(F)cc3)oc3ccccc3c2=O)cc1.
What is the InChIKey of 4-fluoro-N-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]benzamide?
The InChIKey is VMEIEXBBQICDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FNO4/c1-28-17-12-8-14(9-13-17)20-21(26)18-4-2-3-5-19(18)29-23(20)25-22(27)15-6-10-16(24)11-7-15/h2-13H,1H3,(H,25,27).
What are the key properties of 4-fluoro-N-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]benzamide?
4-fluoro-N-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]benzamide has a molecular weight of 389.38 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[3-(4-methoxyphenyl)-4-oxochromen-2-yl]benzamide is sourced from PubChem (CID 7678084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).