1-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide

C22H18ClFN2O2 — CID 109049781

IUPAC1-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide
SMILESCCN(C(=O)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1)c1ccccc1
InChIInChI=1S/C22H18ClFN2O2/c1-2-26(18-6-4-3-5-7-18)22(28)16-10-8-15(9-11-16)21(27)25-17-12-13-20(24)19(23)14-17/h3-14H,2H2,1H3,(H,25,27)
InChIKeyKBMARBKIUJWEGE-UHFFFAOYSA-N
MW396.85 g/mol
LogP5.40
Rot. Bonds5

About 1-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide

1-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide (PubChem CID 109049781) has the molecular formula C22H18ClFN2O2 and a molecular weight of 396.85 g/mol. Its IUPAC name is 1-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide
PubChem CID109049781
Molecular FormulaC22H18ClFN2O2
Molecular Weight396.85 g/mol
Exact Mass396.10
IUPAC Name1-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide
SMILESCCN(C(=O)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1)c1ccccc1
InChIInChI=1S/C22H18ClFN2O2/c1-2-26(18-6-4-3-5-7-18)22(28)16-10-8-15(9-11-16)21(27)25-17-12-13-20(24)19(23)14-17/h3-14H,2H2,1H3,(H,25,27)
InChIKeyKBMARBKIUJWEGE-UHFFFAOYSA-N
XLogP5.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.85
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-ethyl-1-N,4-N-diphenylbenzene-1,4-dicarboxamide
CID 109049216
4-[(3-chloro-4-fluorophenyl)carbamoyl]benzoic acid
CID 43386528
4-N-butyl-1-N-(3-chloro-4-fluorophenyl)-4-N-methylbenzene-1,4-dicarboxamide
CID 109048834
1-N-(3-cyanophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109049797
1-N-butyl-4-N-(3-chloro-4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109043761
4-N-(3,4-difluorophenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109092396
4-N-(3-chloro-4-fluorophenyl)-1-N-(2-methylpropyl)benzene-1,4-dicarboxamide
CID 109043948
4-[(2,5-dichlorophenyl)sulfonylamino]-N-ethyl-N-phenylbenzamide
CID 39584361
N-[3-[ethyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 17221980
N-(3-chloro-4-fluorophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109220315
N-[4-[ethyl(phenyl)carbamoyl]phenyl]-2-methylbenzamide
CID 1243669
4-N-(3-chloro-4-methylphenyl)-2-N-ethyl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109092374

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide?
The IUPAC name of 1-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide (CID 109049781) is 1-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide?
The canonical SMILES for 1-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide is CCN(C(=O)c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1)c1ccccc1.
What is the InChIKey of 1-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide?
The InChIKey is KBMARBKIUJWEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClFN2O2/c1-2-26(18-6-4-3-5-7-18)22(28)16-10-8-15(9-11-16)21(27)25-17-12-13-20(24)19(23)14-17/h3-14H,2H2,1H3,(H,25,27).
What are the key properties of 1-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide?
1-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide has a molecular weight of 396.85 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-4-fluorophenyl)-4-N-ethyl-4-N-phenylbenzene-1,4-dicarboxamide is sourced from PubChem (CID 109049781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).