2-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide

C20H18FN5O2 — CID 109256972

IUPAC2-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ncc(C(=O)NCc3ccccc3F)cn2)c1
InChIInChI=1S/C20H18FN5O2/c1-13(27)25-16-6-4-7-17(9-16)26-20-23-11-15(12-24-20)19(28)22-10-14-5-2-3-8-18(14)21/h2-9,11-12H,10H2,1H3,(H,22,28)(H,25,27)(H,23,24,26)
InChIKeyRUBHKJOIWBBZKS-UHFFFAOYSA-N
MW379.40 g/mol
LogP3.25
Rot. Bonds6

About 2-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide

2-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide (PubChem CID 109256972) has the molecular formula C20H18FN5O2 and a molecular weight of 379.40 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
PubChem CID109256972
Molecular FormulaC20H18FN5O2
Molecular Weight379.40 g/mol
Exact Mass379.14
IUPAC Name2-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
SMILESCC(=O)Nc1cccc(Nc2ncc(C(=O)NCc3ccccc3F)cn2)c1
InChIInChI=1S/C20H18FN5O2/c1-13(27)25-16-6-4-7-17(9-16)26-20-23-11-15(12-24-20)19(28)22-10-14-5-2-3-8-18(14)21/h2-9,11-12H,10H2,1H3,(H,22,28)(H,25,27)(H,23,24,26)
InChIKeyRUBHKJOIWBBZKS-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

6-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156577
2-anilino-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide
CID 109256919
N-[(2-fluorophenyl)methyl]-2-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109256968
3-acetamido-N-[(2-fluorophenyl)methyl]benzamide
CID 8012881
2-(3-acetamidoanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259469
6-(3-acetylanilino)-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 109156575
2-(3-acetamidoanilino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
CID 109263460
N-[(2-fluorophenyl)methyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109256936
2-(3-methoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 109257842
N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255942
N-[(2-fluorophenyl)methyl]-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109256979
2-(3-chloroanilino)-N-[(2-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257438

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide (CID 109256972) is 2-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide is CC(=O)Nc1cccc(Nc2ncc(C(=O)NCc3ccccc3F)cn2)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide?
The InChIKey is RUBHKJOIWBBZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2/c1-13(27)25-16-6-4-7-17(9-16)26-20-23-11-15(12-24-20)19(28)22-10-14-5-2-3-8-18(14)21/h2-9,11-12H,10H2,1H3,(H,22,28)(H,25,27)(H,23,24,26).
What are the key properties of 2-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide?
2-(3-acetamidoanilino)-N-[(2-fluorophenyl)methyl]pyrimidine-5-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-[(2-fluorophenyl)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109256972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).