2,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide

C17H13Cl2F3N2O2 — CID 34496955

IUPAC2,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13Cl2F3N2O2/c18-12-5-6-13(14(19)9-12)16(26)24-8-7-23-15(25)10-1-3-11(4-2-10)17(20,21)22/h1-6,9H,7-8H2,(H,23,25)(H,24,26)
InChIKeyJWDCMZDOZWJODW-UHFFFAOYSA-N
MW405.20 g/mol
LogP4.17
Rot. Bonds5

About 2,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide

2,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide (PubChem CID 34496955) has the molecular formula C17H13Cl2F3N2O2 and a molecular weight of 405.20 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
PubChem CID34496955
Molecular FormulaC17H13Cl2F3N2O2
Molecular Weight405.20 g/mol
Exact Mass404.03
IUPAC Name2,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H13Cl2F3N2O2/c18-12-5-6-13(14(19)9-12)16(26)24-8-7-23-15(25)10-1-3-11(4-2-10)17(20,21)22/h1-6,9H,7-8H2,(H,23,25)(H,24,26)
InChIKeyJWDCMZDOZWJODW-UHFFFAOYSA-N
XLogP4.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.20
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 108570885
3,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496972
2,4-dichloro-N-[2-[(2-chlorobenzoyl)amino]ethyl]benzamide
CID 46433349
N-[4-(2-benzamidoethylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 121063142
2,4-dichloro-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108573745
2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 55659179
2,4-dichloro-N-[2-[(2-cyanoacetyl)amino]ethyl]benzamide
CID 108570422
2,5-dichloro-N-[2-[(4-methylbenzoyl)amino]ethyl]benzamide
CID 108537980
2,4-dichloro-N-[2-(ethylamino)ethyl]benzamide;hydrochloride
CID 119509137
N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-4-(trifluoromethyl)benzamide
CID 108537709
3,4-dimethyl-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 108543008
2,4-dichloro-N-[2-(4-chlorophenyl)-2-hydroxypropyl]benzamide
CID 110291543

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide (CID 34496955) is 2,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide is O=C(NCCNC(=O)c1ccc(Cl)cc1Cl)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide?
The InChIKey is JWDCMZDOZWJODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F3N2O2/c18-12-5-6-13(14(19)9-12)16(26)24-8-7-23-15(25)10-1-3-11(4-2-10)17(20,21)22/h1-6,9H,7-8H2,(H,23,25)(H,24,26).
What are the key properties of 2,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide?
2,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide has a molecular weight of 405.20 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide is sourced from PubChem (CID 34496955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).