6-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide

C18H14ClFN4O — CID 109348199

IUPAC6-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc(Nc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C18H14ClFN4O/c19-13-5-7-14(8-6-13)24-17-9-16(22-11-23-17)18(25)21-10-12-3-1-2-4-15(12)20/h1-9,11H,10H2,(H,21,25)(H,22,23,24)
InChIKeyLTPNUZQVRYNNFG-UHFFFAOYSA-N
MW356.79 g/mol
LogP3.94
Rot. Bonds5

About 6-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide

6-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109348199) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is 6-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109348199
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC Name6-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc(Nc2ccc(Cl)cc2)ncn1
InChIInChI=1S/C18H14ClFN4O/c19-13-5-7-14(8-6-13)24-17-9-16(22-11-23-17)18(25)21-10-12-3-1-2-4-15(12)20/h1-9,11H,10H2,(H,21,25)(H,22,23,24)
InChIKeyLTPNUZQVRYNNFG-UHFFFAOYSA-N
XLogP3.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-chloro-4-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348203
6-(2,3-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348243
6-(2-tert-butylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348193
6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109347450
N-benzyl-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109346699
6-(4-bromoanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109346974
5-(3,4-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 109281399
6-(3,4-dimethylanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109346955
N-[(4-chlorophenyl)methyl]-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109348808
6-(3-chloro-4-fluoroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346391
N-(4-chlorophenyl)-6-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109357249
6-[(2-fluorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
CID 109338464

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide (CID 109348199) is 6-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide is O=C(NCc1ccccc1F)c1cc(Nc2ccc(Cl)cc2)ncn1.
What is the InChIKey of 6-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is LTPNUZQVRYNNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c19-13-5-7-14(8-6-13)24-17-9-16(22-11-23-17)18(25)21-10-12-3-1-2-4-15(12)20/h1-9,11H,10H2,(H,21,25)(H,22,23,24).
What are the key properties of 6-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
6-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 356.79 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109348199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).