N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide

C19H16Cl2N4O — CID 109315577

IUPACN-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1nccc(C(=O)Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C19H16Cl2N4O/c1-2-12-6-3-4-8-14(12)24-19-22-11-10-16(25-19)18(26)23-15-9-5-7-13(20)17(15)21/h3-11H,2H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyUQQDSHYGBCJKBN-UHFFFAOYSA-N
MW387.27 g/mol
LogP5.34
Rot. Bonds5

About N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide

N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide (PubChem CID 109315577) has the molecular formula C19H16Cl2N4O and a molecular weight of 387.27 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
PubChem CID109315577
Molecular FormulaC19H16Cl2N4O
Molecular Weight387.27 g/mol
Exact Mass386.07
IUPAC NameN-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
SMILESCCc1ccccc1Nc1nccc(C(=O)Nc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C19H16Cl2N4O/c1-2-12-6-3-4-8-14(12)24-19-22-11-10-16(25-19)18(26)23-15-9-5-7-13(20)17(15)21/h3-11H,2H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyUQQDSHYGBCJKBN-UHFFFAOYSA-N
XLogP5.34
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.27
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315594
N-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315564
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-5-carboxamide
CID 109267415
N-(4-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315533
2-(3-acetamidoanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
CID 109315621
N-(2,3-dichlorophenyl)-2-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109315169
N-(3-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315553
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109316704
N-(4-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315554
N-(2,3-dichlorophenyl)-2-(3-methylanilino)pyrimidine-4-carboxamide
CID 109313884
2-(2-ethylanilino)-N-(3-methoxyphenyl)pyrimidine-4-carboxamide
CID 109315540
N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109315593

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide (CID 109315577) is N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide is CCc1ccccc1Nc1nccc(C(=O)Nc2cccc(Cl)c2Cl)n1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide?
The InChIKey is UQQDSHYGBCJKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O/c1-2-12-6-3-4-8-14(12)24-19-22-11-10-16(25-19)18(26)23-15-9-5-7-13(20)17(15)21/h3-11H,2H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide?
N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide has a molecular weight of 387.27 g/mol, XLogP of 5.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).