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

C20H18FN5O2 — CID 109305715

IUPAC2-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2nccc(C(=O)NCc3ccc(F)cc3)n2)c1
InChIInChI=1S/C20H18FN5O2/c1-13(27)24-16-3-2-4-17(11-16)25-20-22-10-9-18(26-20)19(28)23-12-14-5-7-15(21)8-6-14/h2-11H,12H2,1H3,(H,23,28)(H,24,27)(H,22,25,26)
InChIKeyWMJRJLQIOPRLNS-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.25
Rot. Bonds6

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

2-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109305715) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109305715
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name2-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(Nc2nccc(C(=O)NCc3ccc(F)cc3)n2)c1
InChIInChI=1S/C20H18FN5O2/c1-13(27)24-16-3-2-4-17(11-16)25-20-22-10-9-18(26-20)19(28)23-12-14-5-7-15(21)8-6-14/h2-11H,12H2,1H3,(H,23,28)(H,24,27)(H,22,25,26)
InChIKeyWMJRJLQIOPRLNS-UHFFFAOYSA-N
XLogP3.25
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109305700
2-anilino-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305662
N-[3-[[4-[(4-fluorophenyl)methylamino]pyrimidin-2-yl]amino]phenyl]acetamide
CID 112891467
2-(4-acetamidoanilino)-N-benzylpyrimidine-4-carboxamide
CID 109303858
6-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348464
N-benzyl-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109303842
2-(2,3-dichloroanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109305735
4-(4-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109211464
2-anilino-N-benzylpyrimidine-4-carboxamide
CID 109303802
4-(3-acetamidoanilino)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210484
2-(3-acetamidoanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315353
2-(3-acetamidoanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
CID 109327308

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide (CID 109305715) is 2-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide is CC(=O)Nc1cccc(Nc2nccc(C(=O)NCc3ccc(F)cc3)n2)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is WMJRJLQIOPRLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-13(27)24-16-3-2-4-17(11-16)25-20-22-10-9-18(26-20)19(28)23-12-14-5-7-15(21)8-6-14/h2-11H,12H2,1H3,(H,23,28)(H,24,27)(H,22,25,26).
What are the key properties of 2-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide?
2-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 379.40 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109305715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).