N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-4-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrimidine-5-carboxamide

C23H17Cl2F3N8O2 — CID 58564390

About N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-4-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrimidine-5-carboxamide

N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-4-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 58564390) has the molecular formula C23H17Cl2F3N8O2 and a molecular weight of 565.34 g/mol. Its IUPAC name is N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-4-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-4-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrimidine-5-carboxamide
• PubChem CID: 58564390
• Molecular Formula: C23H17Cl2F3N8O2
• Molecular Weight: 565.34 g/mol
• Exact Mass: 564.08
• IUPAC Name: N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-4-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrimidine-5-carboxamide
• SMILES: CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cnc(Cn2nnc(C(F)(F)F)n2)nc1-c1ccccc1Cl
• InChI: InChI=1S/C23H17Cl2F3N8O2/c1-11-7-12(24)8-14(20(37)29-2)18(11)32-21(38)15-9-30-17(10-36-34-22(33-35-36)23(26,27)28)31-19(15)13-5-3-4-6-16(13)25/h3-9H,10H2,1-2H3,(H,29,37)(H,32,38)
• InChIKey: IRLRGMODYYMADW-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 127.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.34
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-4-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrimidine-5-carboxamide?

The IUPAC name of N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-4-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrimidine-5-carboxamide (CID 58564390) is N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-4-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrimidine-5-carboxamide.

What is the SMILES notation for N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-4-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrimidine-5-carboxamide?

The canonical SMILES for N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-4-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrimidine-5-carboxamide is CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cnc(Cn2nnc(C(F)(F)F)n2)nc1-c1ccccc1Cl.

What is the InChIKey of N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-4-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrimidine-5-carboxamide?

The InChIKey is IRLRGMODYYMADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2F3N8O2/c1-11-7-12(24)8-14(20(37)29-2)18(11)32-21(38)15-9-30-17(10-36-34-22(33-35-36)23(26,27)28)31-19(15)13-5-3-4-6-16(13)25/h3-9H,10H2,1-2H3,(H,29,37)(H,32,38).

What are the key properties of N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-4-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrimidine-5-carboxamide?

N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-4-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 565.34 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-4-(2-chlorophenyl)-2-[[5-(trifluoromethyl)tetrazol-2-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 58564390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).