N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)pyrimidine-5-carboxamide

C21H17F3N4O3 — CID 166229195

IUPACN-[2-acetamido-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccccc1-c1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2NC(C)=O)cn1
InChIInChI=1S/C21H17F3N4O3/c1-12(29)27-16-8-7-14(21(22,23)24)9-17(16)28-20(30)13-10-25-19(26-11-13)15-5-3-4-6-18(15)31-2/h3-11H,1-2H3,(H,27,29)(H,28,30)
InChIKeyQEFQICTWUYKJLT-UHFFFAOYSA-N
MW430.39 g/mol
LogP4.38
Rot. Bonds5

About N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)pyrimidine-5-carboxamide

N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 166229195) has the molecular formula C21H17F3N4O3 and a molecular weight of 430.39 g/mol. Its IUPAC name is N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-acetamido-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)pyrimidine-5-carboxamide
PubChem CID166229195
Molecular FormulaC21H17F3N4O3
Molecular Weight430.39 g/mol
Exact Mass430.13
IUPAC NameN-[2-acetamido-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccccc1-c1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2NC(C)=O)cn1
InChIInChI=1S/C21H17F3N4O3/c1-12(29)27-16-8-7-14(21(22,23)24)9-17(16)28-20(30)13-10-25-19(26-11-13)15-5-3-4-6-18(15)31-2/h3-11H,1-2H3,(H,27,29)(H,28,30)
InChIKeyQEFQICTWUYKJLT-UHFFFAOYSA-N
XLogP4.38
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-acetamido-5-(trifluoromethyl)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 48524407
N-[2-acetamido-5-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 47079713
N-(2-methoxyphenyl)-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109269412
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 871827
N-[2-amino-4-(trifluoromethyl)phenyl]-2-methoxybenzamide
CID 16775181
2-[(2-methoxybenzoyl)amino]-4-(trifluoromethyl)benzamide
CID 59299610
N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3,4-dimethoxybenzamide
CID 1251443
N-(2-methoxyphenyl)-2-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 8873512
N-[2-acetamido-5-(trifluoromethyl)phenyl]-1,3-dihydro-2-benzofuran-5-carboxamide
CID 49163356
N-(4-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86926666
N-[2-[(5-bromo-2-pyridinyl)carbamoylamino]-4-(trifluoromethyl)phenyl]acetamide
CID 67329878
N-isoquinolin-4-yl-2-methoxy-5-(trifluoromethyl)benzamide
CID 166085769

Frequently Asked Questions

What is the IUPAC name of N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)pyrimidine-5-carboxamide (CID 166229195) is N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)pyrimidine-5-carboxamide is COc1ccccc1-c1ncc(C(=O)Nc2cc(C(F)(F)F)ccc2NC(C)=O)cn1.
What is the InChIKey of N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is QEFQICTWUYKJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O3/c1-12(29)27-16-8-7-14(21(22,23)24)9-17(16)28-20(30)13-10-25-19(26-11-13)15-5-3-4-6-18(15)31-2/h3-11H,1-2H3,(H,27,29)(H,28,30).
What are the key properties of N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)pyrimidine-5-carboxamide?
N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 430.39 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetamido-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 166229195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).