2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide

C19H17ClN4O — CID 109315594

IUPAC2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccnc(Nc2ccccc2Cl)n1
InChIInChI=1S/C19H17ClN4O/c1-2-13-7-3-5-9-15(13)22-18(25)17-11-12-21-19(24-17)23-16-10-6-4-8-14(16)20/h3-12H,2H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyLLBJDQVFJYQTPC-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.69
Rot. Bonds5

About 2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide

2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109315594) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is 2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
PubChem CID109315594
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC Name2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1ccnc(Nc2ccccc2Cl)n1
InChIInChI=1S/C19H17ClN4O/c1-2-13-7-3-5-9-15(13)22-18(25)17-11-12-21-19(24-17)23-16-10-6-4-8-14(16)20/h3-12H,2H2,1H3,(H,22,25)(H,21,23,24)
InChIKeyLLBJDQVFJYQTPC-UHFFFAOYSA-N
XLogP4.69
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dichlorophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315577
N-(2-bromophenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315564
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-4-carboxamide
CID 109316704
2-(2-chloroanilino)-N-(2-fluorophenyl)pyrimidine-4-carboxamide
CID 109316502
N-(2-ethylphenyl)-2-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109315593
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-chlorophenyl)-2-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109316435
2-(2-chloroanilino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109316733
N-(2-ethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109315653
N-(4-acetylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315554
N-(4-tert-butylphenyl)-2-(2-chloroanilino)pyrimidine-4-carboxamide
CID 109316409

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide (CID 109315594) is 2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide is CCc1ccccc1NC(=O)c1ccnc(Nc2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is LLBJDQVFJYQTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-2-13-7-3-5-9-15(13)22-18(25)17-11-12-21-19(24-17)23-16-10-6-4-8-14(16)20/h3-12H,2H2,1H3,(H,22,25)(H,21,23,24).
What are the key properties of 2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide?
2-(2-chloroanilino)-N-(2-ethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 352.83 g/mol, XLogP of 4.69, 5 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-ethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109315594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).