2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide

C17H14ClF3N2O2 — CID 55659179

IUPAC2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccccc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14ClF3N2O2/c18-14-7-2-1-6-13(14)16(25)23-9-8-22-15(24)11-4-3-5-12(10-11)17(19,20)21/h1-7,10H,8-9H2,(H,22,24)(H,23,25)
InChIKeyDJMOKOFSTHIGNR-UHFFFAOYSA-N
MW370.76 g/mol
LogP3.52
Rot. Bonds5

About 2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide

2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide (PubChem CID 55659179) has the molecular formula C17H14ClF3N2O2 and a molecular weight of 370.76 g/mol. Its IUPAC name is 2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
PubChem CID55659179
Molecular FormulaC17H14ClF3N2O2
Molecular Weight370.76 g/mol
Exact Mass370.07
IUPAC Name2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
SMILESO=C(NCCNC(=O)c1ccccc1Cl)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H14ClF3N2O2/c18-14-7-2-1-6-13(14)16(25)23-9-8-22-15(24)11-4-3-5-12(10-11)17(19,20)21/h1-7,10H,8-9H2,(H,22,24)(H,23,25)
InChIKeyDJMOKOFSTHIGNR-UHFFFAOYSA-N
XLogP3.52
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.76
LogP ≤ 53.52
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

N-(2-bromoethyl)-3-(trifluoromethyl)benzamide
CID 3500236
2-chloro-N-[2-oxo-2-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]anilino]ethyl]benzamide
CID 24615496
2-chloro-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 3609395
2-chloro-N-[2-[[N'-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]ethyl]benzamide
CID 111268209
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
2-chloro-N-[2-[(3-methoxybenzoyl)amino]ethyl]benzamide
CID 7354272
2-chloro-N-[2-[[N-ethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]ethyl]benzamide
CID 111267791
N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide
CID 91445268
N-(2-benzamidoethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 38231454
2,4-dichloro-N-[2-[[4-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 34496955
N-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide
CID 61068183
N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine
CID 142510750

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide (CID 55659179) is 2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide is O=C(NCCNC(=O)c1ccccc1Cl)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide?
The InChIKey is DJMOKOFSTHIGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N2O2/c18-14-7-2-1-6-13(14)16(25)23-9-8-22-15(24)11-4-3-5-12(10-11)17(19,20)21/h1-7,10H,8-9H2,(H,22,24)(H,23,25).
What are the key properties of 2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide?
2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide has a molecular weight of 370.76 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide is sourced from PubChem (CID 55659179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).