4-(acetamidomethyl)-N-(6-chloro-2-methylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide

C16H14ClF3N4O2 — CID 123207112

IUPAC4-(acetamidomethyl)-N-(6-chloro-2-methylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2cc(Cl)nc(C)n2)cc1C(F)(F)F
InChIInChI=1S/C16H14ClF3N4O2/c1-8-22-13(17)6-14(23-8)24-15(26)10-3-4-11(7-21-9(2)25)12(5-10)16(18,19)20/h3-6H,7H2,1-2H3,(H,21,25)(H,22,23,24,26)
InChIKeyQRVKOZFOCUWNON-UHFFFAOYSA-N
MW386.76 g/mol
LogP3.35
Rot. Bonds4

About 4-(acetamidomethyl)-N-(6-chloro-2-methylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide

4-(acetamidomethyl)-N-(6-chloro-2-methylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide (PubChem CID 123207112) has the molecular formula C16H14ClF3N4O2 and a molecular weight of 386.76 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-(6-chloro-2-methylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-(6-chloro-2-methylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide
PubChem CID123207112
Molecular FormulaC16H14ClF3N4O2
Molecular Weight386.76 g/mol
Exact Mass386.08
IUPAC Name4-(acetamidomethyl)-N-(6-chloro-2-methylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide
SMILESCC(=O)NCc1ccc(C(=O)Nc2cc(Cl)nc(C)n2)cc1C(F)(F)F
InChIInChI=1S/C16H14ClF3N4O2/c1-8-22-13(17)6-14(23-8)24-15(26)10-3-4-11(7-21-9(2)25)12(5-10)16(18,19)20/h3-6H,7H2,1-2H3,(H,21,25)(H,22,23,24,26)
InChIKeyQRVKOZFOCUWNON-UHFFFAOYSA-N
XLogP3.35
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.76
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-chloro-4-pyrimidinyl)benzamide
CID 824691
N-(2-((6-(ethylamino)-2-methylpyrimidin-4-yl)amino)ethyl)-2,4-difluorobenzamide
CID 45502683
N-(2-{[2-methyl-6-(pyrrolidin-1-yl)pyrimidin-4-yl]amino}ethyl)-3-(trifluoromethyl)benzamide
CID 45502703
N-(2-((6-(ethylamino)-2-methylpyrimidin-4-yl)amino)ethyl)-3-fluorobenzamide
CID 45502724
N-[6-(pyrrolidin-1-yl)pyrimidin-4-yl]-3-(trifluoromethyl)benzamide
CID 71794917
2-chloro-N-{2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl}benzamide
CID 71796960
N-(2-(4-methyl-6-(trifluoromethyl)pyrimidin-2-yl)ethyl)-1-naphthamide
CID 71796970
N-{[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl}-2-(trifluoromethyl)benzamide
CID 72718159
2,5-dimethyl-N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}benzamide
CID 91631481
(3,4-Dimethylphenyl)(4-(2-(ethylamino)-6-methylpyrimidin-4-yl)piperazin-1-yl)methanone
CID 56699965
N-(6-(piperidin-1-yl)pyrimidin-4-yl)-2-(trifluoromethyl)benzamide
CID 66563706
3-[(1S)-1-[(6-amino-2-chloropyrimidin-4-yl)amino]ethyl]-2-cyclopropyl-8-methylisoquinolin-1-one
CID 58008553

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-(6-chloro-2-methylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-(acetamidomethyl)-N-(6-chloro-2-methylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide (CID 123207112) is 4-(acetamidomethyl)-N-(6-chloro-2-methylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-(6-chloro-2-methylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-(6-chloro-2-methylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide is CC(=O)NCc1ccc(C(=O)Nc2cc(Cl)nc(C)n2)cc1C(F)(F)F.
What is the InChIKey of 4-(acetamidomethyl)-N-(6-chloro-2-methylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is QRVKOZFOCUWNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N4O2/c1-8-22-13(17)6-14(23-8)24-15(26)10-3-4-11(7-21-9(2)25)12(5-10)16(18,19)20/h3-6H,7H2,1-2H3,(H,21,25)(H,22,23,24,26).
What are the key properties of 4-(acetamidomethyl)-N-(6-chloro-2-methylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide?
4-(acetamidomethyl)-N-(6-chloro-2-methylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 386.76 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-(6-chloro-2-methylpyrimidin-4-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 123207112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).