2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide

C16H11Cl2F3N2O2 — CID 113001019

IUPAC2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H11Cl2F3N2O2/c17-9-5-6-13(11(7-9)16(19,20)21)23-14(24)8-22-15(25)10-3-1-2-4-12(10)18/h1-7H,8H2,(H,22,25)(H,23,24)
InChIKeyXNUXCRJJKSSBBE-UHFFFAOYSA-N
MW391.18 g/mol
LogP4.38
Rot. Bonds4

About 2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide

2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide (PubChem CID 113001019) has the molecular formula C16H11Cl2F3N2O2 and a molecular weight of 391.18 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide
PubChem CID113001019
Molecular FormulaC16H11Cl2F3N2O2
Molecular Weight391.18 g/mol
Exact Mass390.01
IUPAC Name2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1Cl)Nc1ccc(Cl)cc1C(F)(F)F
InChIInChI=1S/C16H11Cl2F3N2O2/c17-9-5-6-13(11(7-9)16(19,20)21)23-14(24)8-22-15(25)10-3-1-2-4-12(10)18/h1-7H,8H2,(H,22,25)(H,23,24)
InChIKeyXNUXCRJJKSSBBE-UHFFFAOYSA-N
XLogP4.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.18
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801601
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-3-fluorobenzamide
CID 113001009
2-[[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 42113234
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-(2-fluorophenyl)acetamide
CID 113001024
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]cyclopropanecarboxamide
CID 110687206
2,3-dichloro-N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 2296110
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78915256
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(propan-2-ylamino)acetamide
CID 2427329
N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 113001015
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 17168115
N-[2-(4-chloro-2-methylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 26682013

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide (CID 113001019) is 2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide is O=C(CNC(=O)c1ccccc1Cl)Nc1ccc(Cl)cc1C(F)(F)F.
What is the InChIKey of 2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide?
The InChIKey is XNUXCRJJKSSBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2F3N2O2/c17-9-5-6-13(11(7-9)16(19,20)21)23-14(24)8-22-15(25)10-3-1-2-4-12(10)18/h1-7H,8H2,(H,22,25)(H,23,24).
What are the key properties of 2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide?
2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide has a molecular weight of 391.18 g/mol, XLogP of 4.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]benzamide is sourced from PubChem (CID 113001019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).