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

C19H16Cl2N4O — CID 109261408

IUPAC2-(2-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-5-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cnc(Nc2ccccc2Cl)nc1
InChIInChI=1S/C19H16Cl2N4O/c20-15-7-5-13(6-8-15)9-10-22-18(26)14-11-23-19(24-12-14)25-17-4-2-1-3-16(17)21/h1-8,11-12H,9-10H2,(H,22,26)(H,23,24,25)
InChIKeyGVZKWPSTMRBNLA-UHFFFAOYSA-N
MW387.27 g/mol
LogP4.50
Rot. Bonds6

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

2-(2-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-5-carboxamide (PubChem CID 109261408) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-5-carboxamide
PubChem CID109261408
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC Name2-(2-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-5-carboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cnc(Nc2ccccc2Cl)nc1
InChIInChI=1S/C19H16Cl2N4O/c20-15-7-5-13(6-8-15)9-10-22-18(26)14-11-23-19(24-12-14)25-17-4-2-1-3-16(17)21/h1-8,11-12H,9-10H2,(H,22,26)(H,23,24,25)
InChIKeyGVZKWPSTMRBNLA-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-(4-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109261399
N-[2-(4-chlorophenyl)ethyl]-2-(2-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109261403
2-(2-fluoroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259439
2-(2-chloroanilino)-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256148
N-[2-(4-chlorophenyl)ethyl]-2-[(2-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109255694
N-[2-(4-chlorophenyl)ethyl]-2-[(2-fluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257024
2-[2-(4-chlorophenyl)ethylamino]-N-(2-fluorophenyl)pyrimidine-5-carboxamide
CID 109261462
2-(4-chloro-2-methylanilino)-N-[2-(4-fluorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109260068
N-[2-(3-chlorophenyl)ethyl]-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109264764
2-(3-chloroanilino)-N-(2-phenylethyl)pyrimidine-5-carboxamide
CID 109259442
2-(4-chloroanilino)-N-[2-(3-chlorophenyl)ethyl]pyrimidine-5-carboxamide
CID 109264775
2-[2-(4-chlorophenyl)ethylamino]-N-propylpyrimidine-5-carboxamide
CID 109246522

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(2-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-5-carboxamide (CID 109261408) is 2-(2-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(2-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-5-carboxamide is O=C(NCCc1ccc(Cl)cc1)c1cnc(Nc2ccccc2Cl)nc1.
What is the InChIKey of 2-(2-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is GVZKWPSTMRBNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c20-15-7-5-13(6-8-15)9-10-22-18(26)14-11-23-19(24-12-14)25-17-4-2-1-3-16(17)21/h1-8,11-12H,9-10H2,(H,22,26)(H,23,24,25).
What are the key properties of 2-(2-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-5-carboxamide?
2-(2-chloroanilino)-N-[2-(4-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-(2-chloroanilino)-N-[2-(4-chlorophenyl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109261408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).