N,N-dimethyl-2-phenylmethoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide

C18H17F3N2O3 — CID 135241731

IUPACN,N-dimethyl-2-phenylmethoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)C(F)(F)F)cc1OCc1ccccc1
InChIInChI=1S/C18H17F3N2O3/c1-23(2)16(24)14-9-8-13(22-17(25)18(19,20)21)10-15(14)26-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyDIMJHZJCRRMUIZ-UHFFFAOYSA-N
MW366.34 g/mol
LogP3.47
Rot. Bonds5

About N,N-dimethyl-2-phenylmethoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide

N,N-dimethyl-2-phenylmethoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide (PubChem CID 135241731) has the molecular formula C18H17F3N2O3 and a molecular weight of 366.34 g/mol. Its IUPAC name is N,N-dimethyl-2-phenylmethoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-2-phenylmethoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide
PubChem CID135241731
Molecular FormulaC18H17F3N2O3
Molecular Weight366.34 g/mol
Exact Mass366.12
IUPAC NameN,N-dimethyl-2-phenylmethoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)C(F)(F)F)cc1OCc1ccccc1
InChIInChI=1S/C18H17F3N2O3/c1-23(2)16(24)14-9-8-13(22-17(25)18(19,20)21)10-15(14)26-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyDIMJHZJCRRMUIZ-UHFFFAOYSA-N
XLogP3.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-carboxybenzoyl)amino]-2-phenylmethoxybenzoic acid
CID 66574423
2-N,2-N-dimethyl-4-phenylmethoxybenzene-1,2-dicarboxamide
CID 69299072
2,2,2-trifluoro-N-[(2-phenylmethoxyphenyl)methyl]acetamide
CID 130158368
(4-methoxy-3-phenylmethoxyphenyl)carbamic acid
CID 155170089
tert-butyl 3,5-bis(phenylmethoxy)-4-[2-phenylmethoxy-6-[(2,2,2-trifluoroacetyl)amino]benzoyl]benzoate
CID 10974566
2,2,2-trichloro-N-(4-phenylmethoxyphenyl)acetamide
CID 884766
N-(4-benzamido-3-phenylmethoxyphenyl)benzamide
CID 5314877
N-(3-fluorophenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69250543
N-(3-ethylphenyl)-2,4-bis(phenylmethoxy)benzamide
CID 69249899
N-[3-[[[2-(dimethylamino)-2-oxoethyl]amino]methyl]phenyl]-2,2,2-trifluoroacetamide
CID 60999621
2,2,2-trifluoro-N-[5-phenylmethoxy-2-[2-(4-phenylmethoxyphenyl)ethynyl]phenyl]acetamide
CID 121415612
N-[3-[(2-ethoxyanilino)methyl]phenyl]-2,2,2-trifluoroacetamide
CID 113225288

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-phenylmethoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide?
The IUPAC name of N,N-dimethyl-2-phenylmethoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide (CID 135241731) is N,N-dimethyl-2-phenylmethoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide.
What is the SMILES notation for N,N-dimethyl-2-phenylmethoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide?
The canonical SMILES for N,N-dimethyl-2-phenylmethoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide is CN(C)C(=O)c1ccc(NC(=O)C(F)(F)F)cc1OCc1ccccc1.
What is the InChIKey of N,N-dimethyl-2-phenylmethoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide?
The InChIKey is DIMJHZJCRRMUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3/c1-23(2)16(24)14-9-8-13(22-17(25)18(19,20)21)10-15(14)26-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,22,25).
What are the key properties of N,N-dimethyl-2-phenylmethoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide?
N,N-dimethyl-2-phenylmethoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide has a molecular weight of 366.34 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-phenylmethoxy-4-[(2,2,2-trifluoroacetyl)amino]benzamide is sourced from PubChem (CID 135241731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).