4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

C18H19F3N4O2 — CID 47490885

IUPAC4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N(C)Cc1ccccn1
InChIInChI=1S/C18H19F3N4O2/c1-12-6-7-13(16(26)23-11-18(19,20)21)9-15(12)24-17(27)25(2)10-14-5-3-4-8-22-14/h3-9H,10-11H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyDLSXHGARZJCUGO-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.35
Rot. Bonds5

About 4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide

4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 47490885) has the molecular formula C18H19F3N4O2 and a molecular weight of 380.37 g/mol. Its IUPAC name is 4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID47490885
Molecular FormulaC18H19F3N4O2
Molecular Weight380.37 g/mol
Exact Mass380.15
IUPAC Name4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N(C)Cc1ccccn1
InChIInChI=1S/C18H19F3N4O2/c1-12-6-7-13(16(26)23-11-18(19,20)21)9-15(12)24-17(27)25(2)10-14-5-3-4-8-22-14/h3-9H,10-11H2,1-2H3,(H,23,26)(H,24,27)
InChIKeyDLSXHGARZJCUGO-UHFFFAOYSA-N
XLogP3.35
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]benzamide
CID 86870098
2-methyl-3-[methyl-[[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]carbamoyl]amino]propanoic acid
CID 122076338
3-[(3-amino-3-phenylpropanoyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 119949954
3-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 55784735
N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-9-oxofluorene-2-carboxamide
CID 55785407
3-[(4-butoxybenzoyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 55785183
3-(2,3-difluorophenyl)-1-methyl-1-(pyridin-2-ylmethyl)urea
CID 47456776
2,5-dimethyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazole-3-carboxamide
CID 87025355
4-fluoro-N,3-dimethyl-N-(pyridin-2-ylmethyl)benzamide
CID 63212311
5-methyl-N-[2-methyl-5-(2,2,2-trifluoroethylcarbamoyl)phenyl]-1-phenylpyrazole-3-carboxamide
CID 55785215
3-[(2-amino-2-methylpentanoyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119726148
3-[(2-benzamido-2-phenylacetyl)amino]-4-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 71685503

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide (CID 47490885) is 4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)N(C)Cc1ccccn1.
What is the InChIKey of 4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is DLSXHGARZJCUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4O2/c1-12-6-7-13(16(26)23-11-18(19,20)21)9-15(12)24-17(27)25(2)10-14-5-3-4-8-22-14/h3-9H,10-11H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of 4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide?
4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 380.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 47490885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).