2-chloro-4-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]benzamide

C16H13ClF3N3O2 — CID 47077590

IUPAC2-chloro-4-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]benzamide
SMILESNC(=O)c1ccc(NCC(=O)Nc2ccccc2C(F)(F)F)cc1Cl
InChIInChI=1S/C16H13ClF3N3O2/c17-12-7-9(5-6-10(12)15(21)25)22-8-14(24)23-13-4-2-1-3-11(13)16(18,19)20/h1-7,22H,8H2,(H2,21,25)(H,23,24)
InChIKeyGDROLKYRMCYJNX-UHFFFAOYSA-N
MW371.75 g/mol
LogP3.51
Rot. Bonds5

About 2-chloro-4-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]benzamide

2-chloro-4-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]benzamide (PubChem CID 47077590) has the molecular formula C16H13ClF3N3O2 and a molecular weight of 371.75 g/mol. Its IUPAC name is 2-chloro-4-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]benzamide.

Molecular Properties

Compound Name2-chloro-4-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]benzamide
PubChem CID47077590
Molecular FormulaC16H13ClF3N3O2
Molecular Weight371.75 g/mol
Exact Mass371.06
IUPAC Name2-chloro-4-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]benzamide
SMILESNC(=O)c1ccc(NCC(=O)Nc2ccccc2C(F)(F)F)cc1Cl
InChIInChI=1S/C16H13ClF3N3O2/c17-12-7-9(5-6-10(12)15(21)25)22-8-14(24)23-13-4-2-1-3-11(13)16(18,19)20/h1-7,22H,8H2,(H2,21,25)(H,23,24)
InChIKeyGDROLKYRMCYJNX-UHFFFAOYSA-N
XLogP3.51
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.75
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromoanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7492494
2-[4-chloro-2-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009727
methyl 2-[[2-[4-chloro-3-(trifluoromethyl)anilino]acetyl]amino]benzoate
CID 9101546
2-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 109009101
2-[4-chloro-3-(trifluoromethyl)anilino]-N-(2-cyanophenyl)acetamide
CID 2532266
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(naphthalen-2-ylamino)acetamide
CID 2518054
N-(2-acetylphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 16580969
2-chloro-4-[(2-hydroxyphenyl)methylamino]benzamide
CID 43736451
[2-(3-chloro-4-methylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9286490
2-chloro-4-[[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl]amino]benzamide
CID 33007137
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 27252298
N-(3-chloro-4-methylphenyl)-3-[2-(trifluoromethyl)anilino]propanamide
CID 109038626

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]benzamide?
The IUPAC name of 2-chloro-4-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]benzamide (CID 47077590) is 2-chloro-4-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]benzamide.
What is the SMILES notation for 2-chloro-4-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]benzamide?
The canonical SMILES for 2-chloro-4-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]benzamide is NC(=O)c1ccc(NCC(=O)Nc2ccccc2C(F)(F)F)cc1Cl.
What is the InChIKey of 2-chloro-4-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]benzamide?
The InChIKey is GDROLKYRMCYJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF3N3O2/c17-12-7-9(5-6-10(12)15(21)25)22-8-14(24)23-13-4-2-1-3-11(13)16(18,19)20/h1-7,22H,8H2,(H2,21,25)(H,23,24).
What are the key properties of 2-chloro-4-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]benzamide?
2-chloro-4-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]benzamide has a molecular weight of 371.75 g/mol, XLogP of 3.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]benzamide is sourced from PubChem (CID 47077590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).