N-(3-acetamidophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide

C20H18ClN5O2 — CID 109305822

IUPACN-(3-acetamidophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccnc(NCc3ccccc3Cl)n2)c1
InChIInChI=1S/C20H18ClN5O2/c1-13(27)24-15-6-4-7-16(11-15)25-19(28)18-9-10-22-20(26-18)23-12-14-5-2-3-8-17(14)21/h2-11H,12H2,1H3,(H,24,27)(H,25,28)(H,22,23,26)
InChIKeyFHQBGXCXVBASQZ-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.95
Rot. Bonds6

About N-(3-acetamidophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide

N-(3-acetamidophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109305822) has the molecular formula C20H18ClN5O2 and a molecular weight of 395.85 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109305822
Molecular FormulaC20H18ClN5O2
Molecular Weight395.85 g/mol
Exact Mass395.11
IUPAC NameN-(3-acetamidophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2ccnc(NCc3ccccc3Cl)n2)c1
InChIInChI=1S/C20H18ClN5O2/c1-13(27)24-15-6-4-7-16(11-15)25-19(28)18-9-10-22-20(26-18)23-12-14-5-2-3-8-17(14)21/h2-11H,12H2,1H3,(H,24,27)(H,25,28)(H,22,23,26)
InChIKeyFHQBGXCXVBASQZ-UHFFFAOYSA-N
XLogP3.95
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-chlorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109305811
2-[(2-chlorophenyl)methylamino]-N-(2,5-dimethylphenyl)pyrimidine-4-carboxamide
CID 109305785
2-[(2-chlorophenyl)methylamino]-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109305799
2-[(2-chlorophenyl)methylamino]-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109305794
2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315621
2-(benzylamino)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109303727
methyl 3-[[2-[(2-fluorophenyl)methylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109305341
N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109307006
2-[(2-chlorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109305838
N-(3-acetamidophenyl)-2-(2-chlorophenyl)acetamide
CID 7914432
2-(benzylamino)-N-phenylpyrimidine-4-carboxamide
CID 109303645
N-(3-acetylphenyl)-2-[2-(2-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308262

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide (CID 109305822) is N-(3-acetamidophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide is CC(=O)Nc1cccc(NC(=O)c2ccnc(NCc3ccccc3Cl)n2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is FHQBGXCXVBASQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O2/c1-13(27)24-15-6-4-7-16(11-15)25-19(28)18-9-10-22-20(26-18)23-12-14-5-2-3-8-17(14)21/h2-11H,12H2,1H3,(H,24,27)(H,25,28)(H,22,23,26).
What are the key properties of N-(3-acetamidophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide?
N-(3-acetamidophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 395.85 g/mol, XLogP of 3.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-2-[(2-chlorophenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109305822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).