2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide

C19H16Cl2N4O — CID 109264775

IUPAC2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cnc(Nc2ccc(Cl)cc2)nc1
InChIInChI=1S/C19H16Cl2N4O/c20-15-4-6-17(7-5-15)25-19-23-11-14(12-24-19)18(26)22-9-8-13-2-1-3-16(21)10-13/h1-7,10-12H,8-9H2,(H,22,26)(H,23,24,25)
InChIKeyTUZJTEHEJDELSZ-UHFFFAOYSA-N
MW387.27 g/mol
LogP4.50
Rot. Bonds6

About 2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide

2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide (PubChem CID 109264775) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide
PubChem CID109264775
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC Name2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide
SMILESO=C(NCCc1cccc(Cl)c1)c1cnc(Nc2ccc(Cl)cc2)nc1
InChIInChI=1S/C19H16Cl2N4O/c20-15-4-6-17(7-5-15)25-19-23-11-14(12-24-19)18(26)22-9-8-13-2-1-3-16(21)10-13/h1-7,10-12H,8-9H2,(H,22,26)(H,23,24,25)
InChIKeyTUZJTEHEJDELSZ-UHFFFAOYSA-N
XLogP4.50
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.27
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-2-(4-fluoroanilino)pyrimidine-5-carboxamide
CID 109264772
2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259442
N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109264764
N-[2-(3-chlorophenyl)ethyl]-2-(cyclopropylamino)pyrimidine-5-carboxamide
CID 109247539
N-[2-(3-chlorophenyl)ethyl]-2-(2-methoxyanilino)pyrimidine-5-carboxamide
CID 109264776
N-[2-(3-chlorophenyl)ethyl]-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109256254
N-[2-(3-methoxyphenyl)ethyl]-2-(4-methylanilino)pyrimidine-5-carboxamide
CID 109260339
2-(3-chloroanilino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide
CID 109268761
2-(4-chloroanilino)-N-[(4-chlorophenyl)methyl]pyrimidine-5-carboxamide
CID 109257635
2-(3-chloro-4-methylanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259447
N-[2-(3-chlorophenyl)ethyl]-2-(1-phenylethylamino)pyrimidine-5-carboxamide
CID 109256521
N-[2-(3-chlorophenyl)ethyl]-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109161981

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide (CID 109264775) is 2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide is O=C(NCCc1cccc(Cl)c1)c1cnc(Nc2ccc(Cl)cc2)nc1.
What is the InChIKey of 2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is TUZJTEHEJDELSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c20-15-4-6-17(7-5-15)25-19-23-11-14(12-24-19)18(26)22-9-8-13-2-1-3-16(21)10-13/h1-7,10-12H,8-9H2,(H,22,26)(H,23,24,25).
What are the key properties of 2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide?
2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109264775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).