4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]benzamide

C18H16ClN5O — CID 74221364

IUPAC4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]benzamide
SMILESCCc1nc(Nc2ccc(C(N)=O)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H16ClN5O/c1-2-15-22-17(12-4-3-5-13(19)10-12)24-18(23-15)21-14-8-6-11(7-9-14)16(20)25/h3-10H,2H2,1H3,(H2,20,25)(H,21,22,23,24)
InChIKeyKTXUGBASHFHWES-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.60
Rot. Bonds5

About 4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]benzamide

4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]benzamide (PubChem CID 74221364) has the molecular formula C18H16ClN5O and a molecular weight of 353.81 g/mol. Its IUPAC name is 4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]benzamide.

Molecular Properties

Compound Name4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]benzamide
PubChem CID74221364
Molecular FormulaC18H16ClN5O
Molecular Weight353.81 g/mol
Exact Mass353.10
IUPAC Name4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]benzamide
SMILESCCc1nc(Nc2ccc(C(N)=O)cc2)nc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H16ClN5O/c1-2-15-22-17(12-4-3-5-13(19)10-12)24-18(23-15)21-14-8-6-11(7-9-14)16(20)25/h3-10H,2H2,1H3,(H2,20,25)(H,21,22,23,24)
InChIKeyKTXUGBASHFHWES-UHFFFAOYSA-N
XLogP3.60
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Bisanilinopyrimidine, 6p
CID 70702144
N-(4,6-diphenylpyrimidin-2-yl)-3-chlorobenzamide
CID 11234532
2-(4-{[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)acetamide
CID 74221360
2-(4-{[2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl]methyl}phenyl)acetamide
CID 74221424
3-chloro-N-(6-methylpyridin-2-yl)benzamide
CID 835261
3-chloro-N-((cis)-4-(4-(dimethylamino)-6-methylpyrimidin-2-ylamino)cyclohexyl)benzamide
CID 23027402
2-[4-[[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]acetic acid
CID 74221168
4-[[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]benzoic acid
CID 74221169
2-[4-[[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]phenyl]propanoic acid
CID 74221361
Benzeneacetamide, 4-((2-(3-chlorophenyl)-6-(trifluoromethyl)-4-pyrimidinyl)amino)-
CID 77461017
2-(4-((2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl)amino)phenyl)acetamide
CID 90111742
4-[[4-[(3-chlorophenyl)methylamino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-N-methylbenzamide
CID 164610143

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]benzamide?
The IUPAC name of 4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]benzamide (CID 74221364) is 4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]benzamide.
What is the SMILES notation for 4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]benzamide?
The canonical SMILES for 4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]benzamide is CCc1nc(Nc2ccc(C(N)=O)cc2)nc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]benzamide?
The InChIKey is KTXUGBASHFHWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O/c1-2-15-22-17(12-4-3-5-13(19)10-12)24-18(23-15)21-14-8-6-11(7-9-14)16(20)25/h3-10H,2H2,1H3,(H2,20,25)(H,21,22,23,24).
What are the key properties of 4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]benzamide?
4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]benzamide has a molecular weight of 353.81 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino]benzamide is sourced from PubChem (CID 74221364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).