N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2-ethylanilino)methyl]benzamide

C23H20ClF3N2O — CID 84554495

IUPACN-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2-ethylanilino)methyl]benzamide
SMILESCCc1ccccc1NCc1cccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1
InChIInChI=1S/C23H20ClF3N2O/c1-2-16-7-3-4-9-20(16)28-14-15-6-5-8-17(12-15)22(30)29-21-11-10-18(24)13-19(21)23(25,26)27/h3-13,28H,2,14H2,1H3,(H,29,30)
InChIKeyDLZDSXHMCXQVEL-UHFFFAOYSA-N
MW432.87 g/mol
LogP6.79
Rot. Bonds6

About N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2-ethylanilino)methyl]benzamide

N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2-ethylanilino)methyl]benzamide (PubChem CID 84554495) has the molecular formula C23H20ClF3N2O and a molecular weight of 432.87 g/mol. Its IUPAC name is N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2-ethylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2-ethylanilino)methyl]benzamide
PubChem CID84554495
Molecular FormulaC23H20ClF3N2O
Molecular Weight432.87 g/mol
Exact Mass432.12
IUPAC NameN-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2-ethylanilino)methyl]benzamide
SMILESCCc1ccccc1NCc1cccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1
InChIInChI=1S/C23H20ClF3N2O/c1-2-16-7-3-4-9-20(16)28-14-15-6-5-8-17(12-15)22(30)29-21-11-10-18(24)13-19(21)23(25,26)27/h3-13,28H,2,14H2,1H3,(H,29,30)
InChIKeyDLZDSXHMCXQVEL-UHFFFAOYSA-N
XLogP6.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.87
LogP ≤ 56.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878
3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoic acid
CID 84554499
1-N-[4-chloro-2-(trifluoromethyl)phenyl]-3-N,3-N-diethylbenzene-1,3-dicarboxamide
CID 109055915
3-[[3-[(2-ethylanilino)methyl]benzoyl]amino]-4-methylbenzoic acid
CID 84554573
1-N-butyl-3-N-[4-chloro-2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109051222
N-(2,5-dimethylphenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554469
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-iodobenzamide
CID 2296321
N-(3-acetamidophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554547
N-(2,4-dimethoxyphenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554519
N-(3-bromophenyl)-3-[(2-ethylanilino)methyl]benzamide
CID 84554489
3-[(2-ethylanilino)methyl]-N,N-dimethylbenzamide
CID 84558207
methyl 4-[[3-[(2-ethylanilino)methyl]benzoyl]amino]benzoate
CID 84554562

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2-ethylanilino)methyl]benzamide?
The IUPAC name of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2-ethylanilino)methyl]benzamide (CID 84554495) is N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2-ethylanilino)methyl]benzamide.
What is the SMILES notation for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2-ethylanilino)methyl]benzamide?
The canonical SMILES for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2-ethylanilino)methyl]benzamide is CCc1ccccc1NCc1cccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2-ethylanilino)methyl]benzamide?
The InChIKey is DLZDSXHMCXQVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClF3N2O/c1-2-16-7-3-4-9-20(16)28-14-15-6-5-8-17(12-15)22(30)29-21-11-10-18(24)13-19(21)23(25,26)27/h3-13,28H,2,14H2,1H3,(H,29,30).
What are the key properties of N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2-ethylanilino)methyl]benzamide?
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2-ethylanilino)methyl]benzamide has a molecular weight of 432.87 g/mol, XLogP of 6.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-(trifluoromethyl)phenyl]-3-[(2-ethylanilino)methyl]benzamide is sourced from PubChem (CID 84554495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).