N-[1-[2-methyl-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl]benzamide

C18H17F3N2O2 — CID 134351074

IUPACN-[1-[2-methyl-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl]benzamide
SMILESCc1c(NC(=O)C(C)NC(=O)c2ccccc2)cccc1C(F)(F)F
InChIInChI=1S/C18H17F3N2O2/c1-11-14(18(19,20)21)9-6-10-15(11)23-16(24)12(2)22-17(25)13-7-4-3-5-8-13/h3-10,12H,1-2H3,(H,22,25)(H,23,24)
InChIKeyIJSQHFCIXZQJHB-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.77
Rot. Bonds4

About N-[1-[2-methyl-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl]benzamide

N-[1-[2-methyl-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl]benzamide (PubChem CID 134351074) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is N-[1-[2-methyl-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-methyl-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl]benzamide
PubChem CID134351074
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC NameN-[1-[2-methyl-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl]benzamide
SMILESCc1c(NC(=O)C(C)NC(=O)c2ccccc2)cccc1C(F)(F)F
InChIInChI=1S/C18H17F3N2O2/c1-11-14(18(19,20)21)9-6-10-15(11)23-16(24)12(2)22-17(25)13-7-4-3-5-8-13/h3-10,12H,1-2H3,(H,22,25)(H,23,24)
InChIKeyIJSQHFCIXZQJHB-UHFFFAOYSA-N
XLogP3.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chloroanilino)-1-oxopropan-2-yl]benzamide
CID 46756229
N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 66867834
N-[1-[(2-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
CID 134351059
N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 42909871
N-[1-(2,4-difluoroanilino)-1-oxopropan-2-yl]benzamide
CID 18160924
3-methyl-N-[(1R)-2,2,2-trichloro-1-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 7060501
N-[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl]benzamide
CID 51606082
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 68732786
4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide
CID 610570
N-[(2R)-1-hydrazinyl-1-oxopropan-2-yl]benzamide
CID 673653
N-[(2S)-1-[2-[[(2S)-2-benzamidopropanoyl]amino]ethylamino]-1-oxopropan-2-yl]benzamide
CID 71491153
N-(2,3-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148374

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-methyl-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[1-[2-methyl-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl]benzamide (CID 134351074) is N-[1-[2-methyl-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[1-[2-methyl-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[1-[2-methyl-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl]benzamide is Cc1c(NC(=O)C(C)NC(=O)c2ccccc2)cccc1C(F)(F)F.
What is the InChIKey of N-[1-[2-methyl-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl]benzamide?
The InChIKey is IJSQHFCIXZQJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c1-11-14(18(19,20)21)9-6-10-15(11)23-16(24)12(2)22-17(25)13-7-4-3-5-8-13/h3-10,12H,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[1-[2-methyl-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl]benzamide?
N-[1-[2-methyl-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl]benzamide has a molecular weight of 350.34 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-methyl-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 134351074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).