N-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide

C21H14Cl2F2N2O3 — CID 134117338

IUPACN-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
SMILESCOc1cc(NC(=O)NC(=O)c2c(F)cccc2F)ccc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H14Cl2F2N2O3/c1-30-18-10-12(6-7-13(18)11-5-8-14(22)15(23)9-11)26-21(29)27-20(28)19-16(24)3-2-4-17(19)25/h2-10H,1H3,(H2,26,27,28,29)
InChIKeyKGSKQVLNCQQBTF-UHFFFAOYSA-N
MW451.26 g/mol
LogP5.91
Rot. Bonds4

About N-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide

N-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide (PubChem CID 134117338) has the molecular formula C21H14Cl2F2N2O3 and a molecular weight of 451.26 g/mol. Its IUPAC name is N-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
PubChem CID134117338
Molecular FormulaC21H14Cl2F2N2O3
Molecular Weight451.26 g/mol
Exact Mass450.03
IUPAC NameN-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
SMILESCOc1cc(NC(=O)NC(=O)c2c(F)cccc2F)ccc1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C21H14Cl2F2N2O3/c1-30-18-10-12(6-7-13(18)11-5-8-14(22)15(23)9-11)26-21(29)27-20(28)19-16(24)3-2-4-17(19)25/h2-10H,1H3,(H2,26,27,28,29)
InChIKeyKGSKQVLNCQQBTF-UHFFFAOYSA-N
XLogP5.91
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.26
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-difluoro-N-[[3-methoxy-4-(4-methoxyphenyl)phenyl]carbamoyl]benzamide
CID 15452397
N-[[4-(4-tert-butylphenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide
CID 134087466
2,3,5,6-tetrafluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide
CID 134097670
N-[(4-chloro-3-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276006
N-[(3,5-dichloro-4-methoxyphenyl)carbamoyl]-2,6-difluorobenzamide
CID 54288472
N-[(3-chloro-4-methylphenyl)carbamoyl]-2,6-difluorobenzamide
CID 23276007
2,6-difluoro-N-[[4-(1,1,2,2,3,3,3-heptafluoropropyl)-3-methoxyphenyl]carbamoyl]benzamide
CID 134101620
2,6-difluoro-N-[(3-methoxyphenyl)carbamoyl]benzamide
CID 15740316
N-[[3-chloro-4-[1-(4-chlorophenyl)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
CID 20524417
N-[(3,4-dichlorophenyl)carbamoyl]-2-methoxybenzamide
CID 19796862
2,4-difluoro-N-[(3-methoxy-4-phenylphenyl)carbamoyl]benzamide
CID 134104722
2-chloro-N-[[4-(4-cyanophenyl)-3-methoxyphenyl]carbamoyl]benzamide
CID 134097756

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide?
The IUPAC name of N-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide (CID 134117338) is N-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide?
The canonical SMILES for N-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide is COc1cc(NC(=O)NC(=O)c2c(F)cccc2F)ccc1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide?
The InChIKey is KGSKQVLNCQQBTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2F2N2O3/c1-30-18-10-12(6-7-13(18)11-5-8-14(22)15(23)9-11)26-21(29)27-20(28)19-16(24)3-2-4-17(19)25/h2-10H,1H3,(H2,26,27,28,29).
What are the key properties of N-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide?
N-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide has a molecular weight of 451.26 g/mol, XLogP of 5.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3,4-dichlorophenyl)-3-methoxyphenyl]carbamoyl]-2,6-difluorobenzamide is sourced from PubChem (CID 134117338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).