6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide

C19H16ClFN4O — CID 109347455

IUPAC6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Nc3ccc(F)c(Cl)c3)ncn2)cc1
InChIInChI=1S/C19H16ClFN4O/c1-12-2-4-13(5-3-12)10-22-19(26)17-9-18(24-11-23-17)25-14-6-7-16(21)15(20)8-14/h2-9,11H,10H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyRUFBESLUVDFNNN-UHFFFAOYSA-N
MW370.82 g/mol
LogP4.25
Rot. Bonds5

About 6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide

6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109347455) has the molecular formula C19H16ClFN4O and a molecular weight of 370.82 g/mol. Its IUPAC name is 6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109347455
Molecular FormulaC19H16ClFN4O
Molecular Weight370.82 g/mol
Exact Mass370.10
IUPAC Name6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(Nc3ccc(F)c(Cl)c3)ncn2)cc1
InChIInChI=1S/C19H16ClFN4O/c1-12-2-4-13(5-3-12)10-22-19(26)17-9-18(24-11-23-17)25-14-6-7-16(21)15(20)8-14/h2-9,11H,10H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyRUFBESLUVDFNNN-UHFFFAOYSA-N
XLogP4.25
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347450
6-(3-chloro-4-methylanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348444
2-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169934
6-(4-ethylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347444
6-(4-bromoanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347458
N-[(4-chlorophenyl)methyl]-6-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347267
N-benzyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 109346679
6-(3-chloro-4-fluoroanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358265
6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346391
6-(3,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109349236
N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109348808
6-(3-chloro-4-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348203

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109347455) is 6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is Cc1ccc(CNC(=O)c2cc(Nc3ccc(F)c(Cl)c3)ncn2)cc1.
What is the InChIKey of 6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is RUFBESLUVDFNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN4O/c1-12-2-4-13(5-3-12)10-22-19(26)17-9-18(24-11-23-17)25-14-6-7-16(21)15(20)8-14/h2-9,11H,10H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide?
6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 370.82 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109347455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).