3-chloro-4-fluoro-N-(3-hydroxy-6-oxo-2,3,4,7,8,9-hexahydrobenzo[g]chromen-4-yl)benzamide

C20H17ClFNO4 — CID 70281743

IUPAC3-chloro-4-fluoro-N-(3-hydroxy-6-oxo-2,3,4,7,8,9-hexahydrobenzo[g]chromen-4-yl)benzamide
SMILESO=C(NC1c2cc3c(cc2OCC1O)CCCC3=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C20H17ClFNO4/c21-14-6-11(4-5-15(14)22)20(26)23-19-13-8-12-10(2-1-3-16(12)24)7-18(13)27-9-17(19)25/h4-8,17,19,25H,1-3,9H2,(H,23,26)
InChIKeyFVWPEMLTYBTWRE-UHFFFAOYSA-N
MW389.81 g/mol
LogP3.22
Rot. Bonds2

About 3-chloro-4-fluoro-N-(3-hydroxy-6-oxo-2,3,4,7,8,9-hexahydrobenzo[g]chromen-4-yl)benzamide

3-chloro-4-fluoro-N-(3-hydroxy-6-oxo-2,3,4,7,8,9-hexahydrobenzo[g]chromen-4-yl)benzamide (PubChem CID 70281743) has the molecular formula C20H17ClFNO4 and a molecular weight of 389.81 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-(3-hydroxy-6-oxo-2,3,4,7,8,9-hexahydrobenzo[g]chromen-4-yl)benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-(3-hydroxy-6-oxo-2,3,4,7,8,9-hexahydrobenzo[g]chromen-4-yl)benzamide
PubChem CID70281743
Molecular FormulaC20H17ClFNO4
Molecular Weight389.81 g/mol
Exact Mass389.08
IUPAC Name3-chloro-4-fluoro-N-(3-hydroxy-6-oxo-2,3,4,7,8,9-hexahydrobenzo[g]chromen-4-yl)benzamide
SMILESO=C(NC1c2cc3c(cc2OCC1O)CCCC3=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C20H17ClFNO4/c21-14-6-11(4-5-15(14)22)20(26)23-19-13-8-12-10(2-1-3-16(12)24)7-18(13)27-9-17(19)25/h4-8,17,19,25H,1-3,9H2,(H,23,26)
InChIKeyFVWPEMLTYBTWRE-UHFFFAOYSA-N
XLogP3.22
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.81
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-fluoro-N-(3-hydroxy-6-oxo-2,3,4,7,8,9-hexahydrobenzo[g]chromen-4-yl)benzamide with MolForge

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Related Compounds

3-chloro-4-fluoro-N-[(3R,4S)-3-hydroxy-2,2-dimethyl-6-oxo-4,7,8,9-tetrahydro-3H-benzo[g]chromen-4-yl]benzamide
CID 10387266
2-[(3-chloro-4-fluorobenzoyl)amino]cycloheptane-1-carboxylic acid
CID 82872618
(3-chloro-4-fluorophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone
CID 63093813
3-chloro-4-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzamide
CID 114631205
3-chloro-4-fluoro-N-(6-oxopiperidin-3-yl)benzamide
CID 81434409
(3-chloro-4-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 82875088
3-chloro-4-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 82878959
N-[(1R,2R)-2-carbamoylcyclohexyl]-3-chloro-4-fluorobenzamide
CID 124601145
N-(2-carbamoylcyclohexyl)-3-chloro-4-fluorobenzamide
CID 122147253
bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
4-[(3-chloro-4-fluorobenzoyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 82875478
N-(3-chloro-4-fluorophenyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 7668668

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-(3-hydroxy-6-oxo-2,3,4,7,8,9-hexahydrobenzo[g]chromen-4-yl)benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-(3-hydroxy-6-oxo-2,3,4,7,8,9-hexahydrobenzo[g]chromen-4-yl)benzamide (CID 70281743) is 3-chloro-4-fluoro-N-(3-hydroxy-6-oxo-2,3,4,7,8,9-hexahydrobenzo[g]chromen-4-yl)benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-(3-hydroxy-6-oxo-2,3,4,7,8,9-hexahydrobenzo[g]chromen-4-yl)benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-(3-hydroxy-6-oxo-2,3,4,7,8,9-hexahydrobenzo[g]chromen-4-yl)benzamide is O=C(NC1c2cc3c(cc2OCC1O)CCCC3=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-(3-hydroxy-6-oxo-2,3,4,7,8,9-hexahydrobenzo[g]chromen-4-yl)benzamide?
The InChIKey is FVWPEMLTYBTWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClFNO4/c21-14-6-11(4-5-15(14)22)20(26)23-19-13-8-12-10(2-1-3-16(12)24)7-18(13)27-9-17(19)25/h4-8,17,19,25H,1-3,9H2,(H,23,26).
What are the key properties of 3-chloro-4-fluoro-N-(3-hydroxy-6-oxo-2,3,4,7,8,9-hexahydrobenzo[g]chromen-4-yl)benzamide?
3-chloro-4-fluoro-N-(3-hydroxy-6-oxo-2,3,4,7,8,9-hexahydrobenzo[g]chromen-4-yl)benzamide has a molecular weight of 389.81 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-(3-hydroxy-6-oxo-2,3,4,7,8,9-hexahydrobenzo[g]chromen-4-yl)benzamide is sourced from PubChem (CID 70281743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).