1-N-(3-chloro-4-fluorophenyl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide

C20H13ClF2N2O2 — CID 109057416

IUPAC1-N-(3-chloro-4-fluorophenyl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccc(C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C20H13ClF2N2O2/c21-15-11-14(8-9-16(15)22)24-19(26)12-4-3-5-13(10-12)20(27)25-18-7-2-1-6-17(18)23/h1-11H,(H,24,26)(H,25,27)
InChIKeyMKCSCVGOHYPVDG-UHFFFAOYSA-N
MW386.79 g/mol
LogP5.12
Rot. Bonds4

About 1-N-(3-chloro-4-fluorophenyl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide

1-N-(3-chloro-4-fluorophenyl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide (PubChem CID 109057416) has the molecular formula C20H13ClF2N2O2 and a molecular weight of 386.79 g/mol. Its IUPAC name is 1-N-(3-chloro-4-fluorophenyl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chloro-4-fluorophenyl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
PubChem CID109057416
Molecular FormulaC20H13ClF2N2O2
Molecular Weight386.79 g/mol
Exact Mass386.06
IUPAC Name1-N-(3-chloro-4-fluorophenyl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cccc(C(=O)Nc2ccccc2F)c1
InChIInChI=1S/C20H13ClF2N2O2/c21-15-11-14(8-9-16(15)22)24-19(26)12-4-3-5-13(10-12)20(27)25-18-7-2-1-6-17(18)23/h1-11H,(H,24,26)(H,25,27)
InChIKeyMKCSCVGOHYPVDG-UHFFFAOYSA-N
XLogP5.12
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.79
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(3-chloro-4-fluorophenyl)-2-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092643
3-bromo-N-(3-chloro-4-fluorophenyl)benzamide
CID 789113
3-N-(2,6-difluorophenyl)-1-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057449
3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057592
N-(3-chloro-4-fluorophenyl)-3-ethynylbenzamide
CID 141364165
1-N-(3-chloro-4-methoxyphenyl)-4-N-(2-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049860
1-N-(1,3-benzodioxol-5-yl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109057439
N,N'-bis[3-[(3-chloro-4-fluorophenyl)carbamoyl]phenyl]hexanediamide
CID 43878146
3-[(4-tert-butylbenzoyl)amino]-N-(3-chloro-4-fluorophenyl)benzamide
CID 26166664
3-(azepane-1-carbonyl)-N-(3-chloro-4-fluorophenyl)benzamide
CID 109056705
2-N-(3-chlorophenyl)-4-N-(2-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109092592
2-N-(3-chloro-4-fluorophenyl)-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091011

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-4-fluorophenyl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-chloro-4-fluorophenyl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide (CID 109057416) is 1-N-(3-chloro-4-fluorophenyl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-chloro-4-fluorophenyl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-chloro-4-fluorophenyl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1cccc(C(=O)Nc2ccccc2F)c1.
What is the InChIKey of 1-N-(3-chloro-4-fluorophenyl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide?
The InChIKey is MKCSCVGOHYPVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF2N2O2/c21-15-11-14(8-9-16(15)22)24-19(26)12-4-3-5-13(10-12)20(27)25-18-7-2-1-6-17(18)23/h1-11H,(H,24,26)(H,25,27).
What are the key properties of 1-N-(3-chloro-4-fluorophenyl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide?
1-N-(3-chloro-4-fluorophenyl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide has a molecular weight of 386.79 g/mol, XLogP of 5.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-4-fluorophenyl)-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109057416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).