2-chloro-N-[1-oxo-1-[[4-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]benzamide

C18H16ClF3N2O3 — CID 18165007

IUPAC2-chloro-N-[1-oxo-1-[[4-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H16ClF3N2O3/c1-11(24-17(26)14-4-2-3-5-15(14)19)16(25)23-10-12-6-8-13(9-7-12)27-18(20,21)22/h2-9,11H,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyRPHYYVOQGFLWEW-UHFFFAOYSA-N
MW400.78 g/mol
LogP3.67
Rot. Bonds6

About 2-chloro-N-[1-oxo-1-[[4-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]benzamide

2-chloro-N-[1-oxo-1-[[4-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]benzamide (PubChem CID 18165007) has the molecular formula C18H16ClF3N2O3 and a molecular weight of 400.78 g/mol. Its IUPAC name is 2-chloro-N-[1-oxo-1-[[4-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-oxo-1-[[4-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]benzamide
PubChem CID18165007
Molecular FormulaC18H16ClF3N2O3
Molecular Weight400.78 g/mol
Exact Mass400.08
IUPAC Name2-chloro-N-[1-oxo-1-[[4-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H16ClF3N2O3/c1-11(24-17(26)14-4-2-3-5-15(14)19)16(25)23-10-12-6-8-13(9-7-12)27-18(20,21)22/h2-9,11H,10H2,1H3,(H,23,25)(H,24,26)
InChIKeyRPHYYVOQGFLWEW-UHFFFAOYSA-N
XLogP3.67
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.78
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 2712751
2-chloro-N-[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 18161250
2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 33311555
2-chloro-N-[1-oxo-1-[(4-pyrrolidin-1-ylsulfonylphenyl)methylamino]propan-2-yl]benzamide
CID 55868135
2-chloro-N-[(2S)-1-[2-(4-chlorophenoxy)ethylamino]-1-oxopropan-2-yl]benzamide
CID 40718205
2-chloro-N-[1-[[2-(difluoromethoxy)phenyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 42933502
N-[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl]-2-chlorobenzamide
CID 18161939
2-chloro-N-[(2R)-1-[(2-methoxy-4-pyridinyl)methylamino]-1-oxopropan-2-yl]benzamide
CID 25346113
2-chloro-N-[(2S)-1-[2-[(4-fluorophenyl)methylcarbamothioyl]hydrazinyl]-1-oxopropan-2-yl]benzamide
CID 8942314
2-chloro-N-[1-[[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 46461248
2-chloro-N-[3-methyl-1-oxo-1-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methylamino]butan-2-yl]benzamide
CID 24598999
2-bromo-3-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-oxo-1-[[4-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-oxo-1-[[4-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]benzamide (CID 18165007) is 2-chloro-N-[1-oxo-1-[[4-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-oxo-1-[[4-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-oxo-1-[[4-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]benzamide is CC(NC(=O)c1ccccc1Cl)C(=O)NCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-chloro-N-[1-oxo-1-[[4-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]benzamide?
The InChIKey is RPHYYVOQGFLWEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N2O3/c1-11(24-17(26)14-4-2-3-5-15(14)19)16(25)23-10-12-6-8-13(9-7-12)27-18(20,21)22/h2-9,11H,10H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 2-chloro-N-[1-oxo-1-[[4-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]benzamide?
2-chloro-N-[1-oxo-1-[[4-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]benzamide has a molecular weight of 400.78 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-oxo-1-[[4-(trifluoromethoxy)phenyl]methylamino]propan-2-yl]benzamide is sourced from PubChem (CID 18165007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).