6-(2,3-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide

C18H13Cl2FN4O — CID 109348243

IUPAC6-(2,3-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc(Nc2cccc(Cl)c2Cl)ncn1
InChIInChI=1S/C18H13Cl2FN4O/c19-12-5-3-7-14(17(12)20)25-16-8-15(23-10-24-16)18(26)22-9-11-4-1-2-6-13(11)21/h1-8,10H,9H2,(H,22,26)(H,23,24,25)
InChIKeyAGVWJFWXUQKRIW-UHFFFAOYSA-N
MW391.23 g/mol
LogP4.60
Rot. Bonds5

About 6-(2,3-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide

6-(2,3-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109348243) has the molecular formula C18H13Cl2FN4O and a molecular weight of 391.23 g/mol. Its IUPAC name is 6-(2,3-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2,3-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109348243
Molecular FormulaC18H13Cl2FN4O
Molecular Weight391.23 g/mol
Exact Mass390.05
IUPAC Name6-(2,3-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESO=C(NCc1ccccc1F)c1cc(Nc2cccc(Cl)c2Cl)ncn1
InChIInChI=1S/C18H13Cl2FN4O/c19-12-5-3-7-14(17(12)20)25-16-8-15(23-10-24-16)18(26)22-9-11-4-1-2-6-13(11)21/h1-8,10H,9H2,(H,22,26)(H,23,24,25)
InChIKeyAGVWJFWXUQKRIW-UHFFFAOYSA-N
XLogP4.60
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.23
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(2,3-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348199
6-(2-tert-butylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348193
6-(3-chloro-4-methylanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348203
N-[(2-chlorophenyl)methyl]-6-(2,3-dimethylanilino)pyrimidine-4-carboxamide
CID 109348624
6-(2,3-dichloroanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346451
6-(2,3-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344397
6-(2-chloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348438
6-(2-chloroanilino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369705
N-[(2-chlorophenyl)methyl]-6-(2,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109348620
6-(2-fluoroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348436
6-(2,3-dichloroanilino)-N-(2-methoxyphenyl)pyrimidine-4-carboxamide
CID 109358777
6-(3-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119356

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(2,3-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide (CID 109348243) is 6-(2,3-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2,3-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2,3-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide is O=C(NCc1ccccc1F)c1cc(Nc2cccc(Cl)c2Cl)ncn1.
What is the InChIKey of 6-(2,3-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is AGVWJFWXUQKRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN4O/c19-12-5-3-7-14(17(12)20)25-16-8-15(23-10-24-16)18(26)22-9-11-4-1-2-6-13(11)21/h1-8,10H,9H2,(H,22,26)(H,23,24,25).
What are the key properties of 6-(2,3-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide?
6-(2,3-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 391.23 g/mol, XLogP of 4.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dichloroanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109348243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).