4-acetamido-2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzamide

C14H13Cl2N5O2 — CID 86633984

IUPAC4-acetamido-2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(C)=O)cc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C14H13Cl2N5O2/c1-7(22)19-8-3-4-9(13(23)17-2)11(5-8)20-12-10(15)6-18-14(16)21-12/h3-6H,1-2H3,(H,17,23)(H,19,22)(H,18,20,21)
InChIKeyLWKJOROGBIJNLJ-UHFFFAOYSA-N
MW354.20 g/mol
LogP2.85
Rot. Bonds4

About 4-acetamido-2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzamide

4-acetamido-2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzamide (PubChem CID 86633984) has the molecular formula C14H13Cl2N5O2 and a molecular weight of 354.20 g/mol. Its IUPAC name is 4-acetamido-2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-acetamido-2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzamide
PubChem CID86633984
Molecular FormulaC14H13Cl2N5O2
Molecular Weight354.20 g/mol
Exact Mass353.04
IUPAC Name4-acetamido-2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(C)=O)cc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C14H13Cl2N5O2/c1-7(22)19-8-3-4-9(13(23)17-2)11(5-8)20-12-10(15)6-18-14(16)21-12/h3-6H,1-2H3,(H,17,23)(H,19,22)(H,18,20,21)
InChIKeyLWKJOROGBIJNLJ-UHFFFAOYSA-N
XLogP2.85
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.20
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzamide?
The IUPAC name of 4-acetamido-2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzamide (CID 86633984) is 4-acetamido-2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzamide.
What is the SMILES notation for 4-acetamido-2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzamide?
The canonical SMILES for 4-acetamido-2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(C)=O)cc1Nc1nc(Cl)ncc1Cl.
What is the InChIKey of 4-acetamido-2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzamide?
The InChIKey is LWKJOROGBIJNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N5O2/c1-7(22)19-8-3-4-9(13(23)17-2)11(5-8)20-12-10(15)6-18-14(16)21-12/h3-6H,1-2H3,(H,17,23)(H,19,22)(H,18,20,21).
What are the key properties of 4-acetamido-2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzamide?
4-acetamido-2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzamide has a molecular weight of 354.20 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-2-[(2,5-dichloropyrimidin-4-yl)amino]-N-methylbenzamide is sourced from PubChem (CID 86633984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).