5-chloro-2-(2-chloro-4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)benzamide

C19H12Cl2FNO3 — CID 148566728

IUPAC5-chloro-2-(2-chloro-4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)benzamide
SMILESO=C1C=C(NC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2Cl)C=CC1
InChIInChI=1S/C19H12Cl2FNO3/c20-11-4-6-17(26-18-7-5-12(22)9-16(18)21)15(8-11)19(25)23-13-2-1-3-14(24)10-13/h1-2,4-10H,3H2,(H,23,25)
InChIKeyMWBOUGCMQXEXJG-UHFFFAOYSA-N
MW392.21 g/mol
LogP5.07
Rot. Bonds4

About 5-chloro-2-(2-chloro-4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)benzamide

5-chloro-2-(2-chloro-4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)benzamide (PubChem CID 148566728) has the molecular formula C19H12Cl2FNO3 and a molecular weight of 392.21 g/mol. Its IUPAC name is 5-chloro-2-(2-chloro-4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(2-chloro-4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)benzamide
PubChem CID148566728
Molecular FormulaC19H12Cl2FNO3
Molecular Weight392.21 g/mol
Exact Mass391.02
IUPAC Name5-chloro-2-(2-chloro-4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)benzamide
SMILESO=C1C=C(NC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2Cl)C=CC1
InChIInChI=1S/C19H12Cl2FNO3/c20-11-4-6-17(26-18-7-5-12(22)9-16(18)21)15(8-11)19(25)23-13-2-1-3-14(24)10-13/h1-2,4-10H,3H2,(H,23,25)
InChIKeyMWBOUGCMQXEXJG-UHFFFAOYSA-N
XLogP5.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.21
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethyl)benzamide
CID 152995096
2-(2-chloro-4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide;2-(2-fluoro-6-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide;2-(4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide
CID 161136525
2-(4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-5-(trifluoromethoxy)benzamide
CID 147895425
bis(5-chloro-2-[2-(difluoromethoxy)-4-fluorophenoxy]-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide);5-chloro-2-fluoro-N-(3-oxocyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)benzamide;2-(difluoromethoxy)-4-fluoro-1-methoxybenzene;2-(difluoromethoxy)-4-fluorophenol;5-fluoro-2-methoxyphenol
CID 163545056
2-(2,4-dichlorophenoxy)-N-[(3,5-dichlorophenyl)carbamoyl]benzamide
CID 2805241
2-fluoro-N-[[2,3,6-trichloro-4-(2,4-dichlorophenoxy)phenyl]carbamoyl]benzamide
CID 19934972
2-(4-methylphenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)benzamide
CID 152808883
5-chloro-2-[(7-fluoro-2,3-dihydro-1H-inden-4-yl)oxy]-N-(3-oxo-2H-pyridin-5-yl)-4-(trifluoromethyl)benzamide
CID 163812188
2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 114862601
1-[2-(2-chloro-4-fluorophenoxy)phenyl]propan-1-one
CID 112677592
N-(5-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 7899666
2-chloro-N-(2,5-difluorophenyl)-4-fluorobenzamide
CID 26361023

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-chloro-4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)benzamide?
The IUPAC name of 5-chloro-2-(2-chloro-4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)benzamide (CID 148566728) is 5-chloro-2-(2-chloro-4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)benzamide.
What is the SMILES notation for 5-chloro-2-(2-chloro-4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)benzamide?
The canonical SMILES for 5-chloro-2-(2-chloro-4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)benzamide is O=C1C=C(NC(=O)c2cc(Cl)ccc2Oc2ccc(F)cc2Cl)C=CC1.
What is the InChIKey of 5-chloro-2-(2-chloro-4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)benzamide?
The InChIKey is MWBOUGCMQXEXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12Cl2FNO3/c20-11-4-6-17(26-18-7-5-12(22)9-16(18)21)15(8-11)19(25)23-13-2-1-3-14(24)10-13/h1-2,4-10H,3H2,(H,23,25).
What are the key properties of 5-chloro-2-(2-chloro-4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)benzamide?
5-chloro-2-(2-chloro-4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)benzamide has a molecular weight of 392.21 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-chloro-4-fluorophenoxy)-N-(3-oxocyclohexa-1,5-dien-1-yl)benzamide is sourced from PubChem (CID 148566728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).