5-(3-chloroanilino)-N-(3-chloro-4-methylphenyl)triazolidine-4-carboxamide

C16H17Cl2N5O — CID 75974366

IUPAC5-(3-chloroanilino)-N-(3-chloro-4-methylphenyl)triazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2NNNC2Nc2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C16H17Cl2N5O/c1-9-5-6-12(8-13(9)18)20-16(24)14-15(22-23-21-14)19-11-4-2-3-10(17)7-11/h2-8,14-15,19,21-23H,1H3,(H,20,24)
InChIKeyPEGVBKWJNZLREQ-UHFFFAOYSA-N
MW366.25 g/mol
LogP2.66
Rot. Bonds4

About 5-(3-chloroanilino)-N-(3-chloro-4-methylphenyl)triazolidine-4-carboxamide

5-(3-chloroanilino)-N-(3-chloro-4-methylphenyl)triazolidine-4-carboxamide (PubChem CID 75974366) has the molecular formula C16H17Cl2N5O and a molecular weight of 366.25 g/mol. Its IUPAC name is 5-(3-chloroanilino)-N-(3-chloro-4-methylphenyl)triazolidine-4-carboxamide.

Molecular Properties

Compound Name5-(3-chloroanilino)-N-(3-chloro-4-methylphenyl)triazolidine-4-carboxamide
PubChem CID75974366
Molecular FormulaC16H17Cl2N5O
Molecular Weight366.25 g/mol
Exact Mass365.08
IUPAC Name5-(3-chloroanilino)-N-(3-chloro-4-methylphenyl)triazolidine-4-carboxamide
SMILESCc1ccc(NC(=O)C2NNNC2Nc2cccc(Cl)c2)cc1Cl
InChIInChI=1S/C16H17Cl2N5O/c1-9-5-6-12(8-13(9)18)20-16(24)14-15(22-23-21-14)19-11-4-2-3-10(17)7-11/h2-8,14-15,19,21-23H,1H3,(H,20,24)
InChIKeyPEGVBKWJNZLREQ-UHFFFAOYSA-N
XLogP2.66
TPSA77.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 52.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-fluorophenyl)-5-(3-fluoro-4-methylanilino)triazolidine-4-carboxamide
CID 75118727
1-(3-chloro-4-methylphenyl)-3-(3-chlorophenyl)thiourea
CID 5017952
[5-(3-chloroanilino)triazolidin-4-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 75584329
[5-(3-chloroanilino)triazolidin-4-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 75584345
1-(3-chloro-4-methylphenyl)-3-(3-methylphenyl)urea
CID 727838
N-(3-chloro-4-methylphenyl)-3-(cyclopropanecarbonylamino)benzamide
CID 37032402
(1R,4Z,8R)-N-(3-chloro-4-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5412789
4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150478
2-(3-chloro-4-methylanilino)-N-(3-chlorophenyl)pyrimidine-4-carboxamide
CID 109316874
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
(2,6-dimethylphenyl) N-(3-chloro-4-methylphenyl)carbamate
CID 7996910
6-[(3-chloro-4-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 588270

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloroanilino)-N-(3-chloro-4-methylphenyl)triazolidine-4-carboxamide?
The IUPAC name of 5-(3-chloroanilino)-N-(3-chloro-4-methylphenyl)triazolidine-4-carboxamide (CID 75974366) is 5-(3-chloroanilino)-N-(3-chloro-4-methylphenyl)triazolidine-4-carboxamide.
What is the SMILES notation for 5-(3-chloroanilino)-N-(3-chloro-4-methylphenyl)triazolidine-4-carboxamide?
The canonical SMILES for 5-(3-chloroanilino)-N-(3-chloro-4-methylphenyl)triazolidine-4-carboxamide is Cc1ccc(NC(=O)C2NNNC2Nc2cccc(Cl)c2)cc1Cl.
What is the InChIKey of 5-(3-chloroanilino)-N-(3-chloro-4-methylphenyl)triazolidine-4-carboxamide?
The InChIKey is PEGVBKWJNZLREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N5O/c1-9-5-6-12(8-13(9)18)20-16(24)14-15(22-23-21-14)19-11-4-2-3-10(17)7-11/h2-8,14-15,19,21-23H,1H3,(H,20,24).
What are the key properties of 5-(3-chloroanilino)-N-(3-chloro-4-methylphenyl)triazolidine-4-carboxamide?
5-(3-chloroanilino)-N-(3-chloro-4-methylphenyl)triazolidine-4-carboxamide has a molecular weight of 366.25 g/mol, XLogP of 2.66, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloroanilino)-N-(3-chloro-4-methylphenyl)triazolidine-4-carboxamide is sourced from PubChem (CID 75974366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).