N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3-(trifluoromethyl)benzamide

C19H17F3N2O2 — CID 38363519

IUPACN-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(CN(C(=O)c2cccc(C(F)(F)F)c2)C2CC2)cc1
InChIInChI=1S/C19H17F3N2O2/c20-19(21,22)15-3-1-2-14(10-15)18(26)24(16-8-9-16)11-12-4-6-13(7-5-12)17(23)25/h1-7,10,16H,8-9,11H2,(H2,23,25)
InChIKeyOMJAVYJZXVXHLP-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.61
Rot. Bonds5

About N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3-(trifluoromethyl)benzamide

N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3-(trifluoromethyl)benzamide (PubChem CID 38363519) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3-(trifluoromethyl)benzamide
PubChem CID38363519
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC NameN-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(CN(C(=O)c2cccc(C(F)(F)F)c2)C2CC2)cc1
InChIInChI=1S/C19H17F3N2O2/c20-19(21,22)15-3-1-2-14(10-15)18(26)24(16-8-9-16)11-12-4-6-13(7-5-12)17(23)25/h1-7,10,16H,8-9,11H2,(H2,23,25)
InChIKeyOMJAVYJZXVXHLP-UHFFFAOYSA-N
XLogP3.61
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3,5-bis(trifluoromethyl)benzamide
CID 38371299
N-benzyl-N-[(3R)-1,1-dioxothiolan-3-yl]-3-(trifluoromethyl)benzamide
CID 8781843
N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide
CID 43460553
N-(4-tert-butylcyclohexyl)-N-[[4-(didiazenylmethylcarbamoyl)phenyl]methyl]-3-(trifluoromethyl)benzamide
CID 90993094
N-(2-bromoethyl)-N-cyclobutyl-3-(trifluoromethyl)benzamide
CID 102873211
3-amino-N-benzyl-N-cyclopropylbenzamide
CID 43574369
N-[(4-aminophenyl)methyl]-3-bromo-N-cyclopropylbenzamide
CID 43460527
3-(4-carbamoylphenyl)-N-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 87469042
N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 42698347
benzamide;N-[2-[[(1S,2S)-2-[(4-chlorophenyl)methyl-methylamino]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 68827109
N-pyrrolidin-3-yl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 11210227
N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzamide
CID 90610702

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3-(trifluoromethyl)benzamide (CID 38363519) is N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3-(trifluoromethyl)benzamide is NC(=O)c1ccc(CN(C(=O)c2cccc(C(F)(F)F)c2)C2CC2)cc1.
What is the InChIKey of N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3-(trifluoromethyl)benzamide?
The InChIKey is OMJAVYJZXVXHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c20-19(21,22)15-3-1-2-14(10-15)18(26)24(16-8-9-16)11-12-4-6-13(7-5-12)17(23)25/h1-7,10,16H,8-9,11H2,(H2,23,25).
What are the key properties of N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3-(trifluoromethyl)benzamide?
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3-(trifluoromethyl)benzamide has a molecular weight of 362.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 38363519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).