N-cyclopropyl-3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide

C16H15F3N4O — CID 71940029

IUPACN-cyclopropyl-3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide
SMILESO=C(NC1CC1)c1cccc(CNc2nccc(C(F)(F)F)n2)c1
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)13-6-7-20-15(23-13)21-9-10-2-1-3-11(8-10)14(24)22-12-4-5-12/h1-3,6-8,12H,4-5,9H2,(H,22,24)(H,20,21,23)
InChIKeyPGMWWQDDWSMBOA-UHFFFAOYSA-N
MW336.32 g/mol
LogP3.00
Rot. Bonds5

About N-cyclopropyl-3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide

N-cyclopropyl-3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide (PubChem CID 71940029) has the molecular formula C16H15F3N4O and a molecular weight of 336.32 g/mol. Its IUPAC name is N-cyclopropyl-3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide
PubChem CID71940029
Molecular FormulaC16H15F3N4O
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC NameN-cyclopropyl-3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide
SMILESO=C(NC1CC1)c1cccc(CNc2nccc(C(F)(F)F)n2)c1
InChIInChI=1S/C16H15F3N4O/c17-16(18,19)13-6-7-20-15(23-13)21-9-10-2-1-3-11(8-10)14(24)22-12-4-5-12/h1-3,6-8,12H,4-5,9H2,(H,22,24)(H,20,21,23)
InChIKeyPGMWWQDDWSMBOA-UHFFFAOYSA-N
XLogP3.00
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-[3-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 121497473
N-cyclopropyl-2,6-bis(trifluoromethyl)pyridine-4-carboxamide
CID 30772760
N-ethyl-3-[[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide
CID 136530357
3-(dimethylamino)-N-[4-[[2-(trifluoromethyl)-4-pyridinyl]amino]cyclohexyl]benzamide
CID 167109293
N-cyclopropyl-3-[(3-methylphenyl)methylamino]benzamide
CID 28658973
2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide
CID 109303634
2-[3-[4-(cyclopropylcarbamoyl)-2-pyridinyl]phenyl]acetic acid
CID 155910539
3-tert-butyl-N-cyclopropylbenzamide
CID 59732225
N-(4-tert-butylcyclohexyl)-4-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 59672796
N-cyclohexyl-3-(hydroxymethyl)benzamide
CID 91471935
1-benzyl-3-[4-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]phenyl]urea
CID 71050480
3-(methylsulfanylmethyl)-N-[4-(trifluoromethyl)cyclohexyl]benzamide
CID 43052123

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide (CID 71940029) is N-cyclopropyl-3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide is O=C(NC1CC1)c1cccc(CNc2nccc(C(F)(F)F)n2)c1.
What is the InChIKey of N-cyclopropyl-3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide?
The InChIKey is PGMWWQDDWSMBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N4O/c17-16(18,19)13-6-7-20-15(23-13)21-9-10-2-1-3-11(8-10)14(24)22-12-4-5-12/h1-3,6-8,12H,4-5,9H2,(H,22,24)(H,20,21,23).
What are the key properties of N-cyclopropyl-3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide?
N-cyclopropyl-3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide has a molecular weight of 336.32 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[[4-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]benzamide is sourced from PubChem (CID 71940029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).