N-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide

C15H14ClF3N4O — CID 142022643

IUPACN-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc(NC(C)c2ccccc2)c(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C15H14ClF3N4O/c1-8(10-6-4-3-5-7-10)20-13-11(16)12(15(17,18)19)22-14(23-13)21-9(2)24/h3-8H,1-2H3,(H2,20,21,22,23,24)
InChIKeyCDDCRQHFNOXXFZ-UHFFFAOYSA-N
MW358.75 g/mol
LogP4.28
Rot. Bonds4

About N-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide

N-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide (PubChem CID 142022643) has the molecular formula C15H14ClF3N4O and a molecular weight of 358.75 g/mol. Its IUPAC name is N-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide
PubChem CID142022643
Molecular FormulaC15H14ClF3N4O
Molecular Weight358.75 g/mol
Exact Mass358.08
IUPAC NameN-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide
SMILESCC(=O)Nc1nc(NC(C)c2ccccc2)c(Cl)c(C(F)(F)F)n1
InChIInChI=1S/C15H14ClF3N4O/c1-8(10-6-4-3-5-7-10)20-13-11(16)12(15(17,18)19)22-14(23-13)21-9(2)24/h3-8H,1-2H3,(H2,20,21,22,23,24)
InChIKeyCDDCRQHFNOXXFZ-UHFFFAOYSA-N
XLogP4.28
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.75
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(1-phenylethyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 82461228
N-[4-[1-(4-methylsulfanylphenyl)ethylamino]-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide
CID 15390076
N-[3-(1-phenylethylamino)phenyl]acetamide
CID 43178472
2-N-(2,3-dichlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine
CID 56729213
1-[4-[[4-(1-phenylethylamino)quinazolin-2-yl]amino]phenyl]ethanone
CID 56729195
6-chloro-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 3767089
6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109118785
N-[4-(4-phenylbutan-2-ylamino)-6-(trifluoromethyl)-1,3,5-triazin-2-yl]acetamide
CID 20675899
2-N-(2-chlorophenyl)-4-N-(1-phenylethyl)quinazoline-2,4-diamine
CID 56729179
4-(1-phenylethylamino)quinazoline-2-carboxamide
CID 173085941
N-(3-chlorophenyl)-6-methyl-2-(1-phenylethylamino)pyrimidine-4-carboxamide
CID 109328055
5-(1-phenylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
CID 109280985

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide?
The IUPAC name of N-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide (CID 142022643) is N-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide.
What is the SMILES notation for N-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide?
The canonical SMILES for N-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide is CC(=O)Nc1nc(NC(C)c2ccccc2)c(Cl)c(C(F)(F)F)n1.
What is the InChIKey of N-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide?
The InChIKey is CDDCRQHFNOXXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF3N4O/c1-8(10-6-4-3-5-7-10)20-13-11(16)12(15(17,18)19)22-14(23-13)21-9(2)24/h3-8H,1-2H3,(H2,20,21,22,23,24).
What are the key properties of N-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide?
N-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide has a molecular weight of 358.75 g/mol, XLogP of 4.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(1-phenylethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]acetamide is sourced from PubChem (CID 142022643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).