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

C18H13Cl2FN4O — CID 109305735

IUPAC2-(2,3-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccnc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C18H13Cl2FN4O/c19-13-2-1-3-14(16(13)20)24-18-22-9-8-15(25-18)17(26)23-10-11-4-6-12(21)7-5-11/h1-9H,10H2,(H,23,26)(H,22,24,25)
InChIKeyZZRXOPHQDLXUBA-UHFFFAOYSA-N
MW391.23 g/mol
LogP4.60
Rot. Bonds5

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

2-(2,3-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109305735) has the molecular formula C18H13Cl2FN4O and a molecular weight of 391.23 g/mol. Its IUPAC name is 2-(2,3-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,3-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109305735
Molecular FormulaC18H13Cl2FN4O
Molecular Weight391.23 g/mol
Exact Mass390.05
IUPAC Name2-(2,3-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccnc(Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C18H13Cl2FN4O/c19-13-2-1-3-14(16(13)20)24-18-22-9-8-15(25-18)17(26)23-10-11-4-6-12(21)7-5-11/h1-9H,10H2,(H,23,26)(H,22,24,25)
InChIKeyZZRXOPHQDLXUBA-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

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Related Compounds

5-(2,3-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109189695
2-(2-ethoxyanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305702
2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305662
2-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305715
N-[(2-chlorophenyl)methyl]-2-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109305895
N-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109305700
methyl 2-[[4-[(4-chlorophenyl)methylcarbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109306111
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315577
2-[(4-fluorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109305502
2,6-dichloro-N-[(4-fluorophenyl)methyl]benzamide
CID 841148
2-(2,3-dimethylanilino)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109307651
N-benzyl-2-(3,4-dichloroanilino)pyrimidine-4-carboxamide
CID 109303884

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,3-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide (CID 109305735) is 2-(2,3-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,3-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,3-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide is O=C(NCc1ccc(F)cc1)c1ccnc(Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 2-(2,3-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is ZZRXOPHQDLXUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2FN4O/c19-13-2-1-3-14(16(13)20)24-18-22-9-8-15(25-18)17(26)23-10-11-4-6-12(21)7-5-11/h1-9H,10H2,(H,23,26)(H,22,24,25).
What are the key properties of 2-(2,3-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
2-(2,3-dichloroanilino)-N-[(4-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 2-(2,3-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109305735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).