1-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-N,3-N-diethylbenzene-1,3-dicarboxamide

C19H18ClF3N2O2 — CID 109055915

IUPAC1-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-N,3-N-diethylbenzene-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1
InChIInChI=1S/C19H18ClF3N2O2/c1-3-25(4-2)18(27)13-7-5-6-12(10-13)17(26)24-16-9-8-14(20)11-15(16)19(21,22)23/h5-11H,3-4H2,1-2H3,(H,24,26)
InChIKeyMENPILJYOMGCNN-UHFFFAOYSA-N
MW398.81 g/mol
LogP5.09
Rot. Bonds5

About 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-N,3-N-diethylbenzene-1,3-dicarboxamide

1-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-N,3-N-diethylbenzene-1,3-dicarboxamide (PubChem CID 109055915) has the molecular formula C19H18ClF3N2O2 and a molecular weight of 398.81 g/mol. Its IUPAC name is 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-N,3-N-diethylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-N,3-N-diethylbenzene-1,3-dicarboxamide
PubChem CID109055915
Molecular FormulaC19H18ClF3N2O2
Molecular Weight398.81 g/mol
Exact Mass398.10
IUPAC Name1-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-N,3-N-diethylbenzene-1,3-dicarboxamide
SMILESCCN(CC)C(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1
InChIInChI=1S/C19H18ClF3N2O2/c1-3-25(4-2)18(27)13-7-5-6-12(10-13)17(26)24-16-9-8-14(20)11-15(16)19(21,22)23/h5-11H,3-4H2,1-2H3,(H,24,26)
InChIKeyMENPILJYOMGCNN-UHFFFAOYSA-N
XLogP5.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.81
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-butyl-3-N-[4-chloro-2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109051222
3-N,3-N-diethyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
CID 109055931
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide
CID 2296321
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-(diethylamino)pyridine-2-carboxamide
CID 109194819
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2-ethylanilino)methyl]benzamide
CID 84554495
1-N-(2,6-dichlorophenyl)-3-N,3-N-diethylbenzene-1,3-dicarboxamide
CID 109055921
N-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 836769
N-[4-chloro-2-(trifluoromethyl)phenyl]-6-(diethylamino)pyridine-3-carboxamide
CID 109160729
3-[4-chloro-2-(trifluoromethyl)phenyl]-1-ethyl-1-methylurea
CID 113229852
N-[3-(diethylcarbamoyl)phenyl]-3-(trifluoromethyl)benzamide
CID 17435315
4-butoxy-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 4512796

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-N,3-N-diethylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-N,3-N-diethylbenzene-1,3-dicarboxamide (CID 109055915) is 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-N,3-N-diethylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-N,3-N-diethylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-N,3-N-diethylbenzene-1,3-dicarboxamide is CCN(CC)C(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1.
What is the InChIKey of 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-N,3-N-diethylbenzene-1,3-dicarboxamide?
The InChIKey is MENPILJYOMGCNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O2/c1-3-25(4-2)18(27)13-7-5-6-12(10-13)17(26)24-16-9-8-14(20)11-15(16)19(21,22)23/h5-11H,3-4H2,1-2H3,(H,24,26).
What are the key properties of 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-N,3-N-diethylbenzene-1,3-dicarboxamide?
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-N,3-N-diethylbenzene-1,3-dicarboxamide has a molecular weight of 398.81 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-N,3-N-diethylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109055915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).