N-(3-chloro-4-fluorophenyl)-5-(3-fluoro-4-methylanilino)triazolidine-4-carboxamide

C16H16ClF2N5O — CID 75118727

IUPACN-(3-chloro-4-fluorophenyl)-5-(3-fluoro-4-methylanilino)triazolidine-4-carboxamide
SMILESCc1ccc(NC2NNNC2C(=O)Nc2ccc(F)c(Cl)c2)cc1F
InChIInChI=1S/C16H16ClF2N5O/c1-8-2-3-10(7-13(8)19)20-15-14(22-24-23-15)16(25)21-9-4-5-12(18)11(17)6-9/h2-7,14-15,20,22-24H,1H3,(H,21,25)
InChIKeyRJLPRNPFWLPAIY-UHFFFAOYSA-N
MW367.79 g/mol
LogP2.28
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-5-(3-fluoro-4-methylanilino)triazolidine-4-carboxamide

N-(3-chloro-4-fluorophenyl)-5-(3-fluoro-4-methylanilino)triazolidine-4-carboxamide (PubChem CID 75118727) has the molecular formula C16H16ClF2N5O and a molecular weight of 367.79 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-5-(3-fluoro-4-methylanilino)triazolidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-5-(3-fluoro-4-methylanilino)triazolidine-4-carboxamide
PubChem CID75118727
Molecular FormulaC16H16ClF2N5O
Molecular Weight367.79 g/mol
Exact Mass367.10
IUPAC NameN-(3-chloro-4-fluorophenyl)-5-(3-fluoro-4-methylanilino)triazolidine-4-carboxamide
SMILESCc1ccc(NC2NNNC2C(=O)Nc2ccc(F)c(Cl)c2)cc1F
InChIInChI=1S/C16H16ClF2N5O/c1-8-2-3-10(7-13(8)19)20-15-14(22-24-23-15)16(25)21-9-4-5-12(18)11(17)6-9/h2-7,14-15,20,22-24H,1H3,(H,21,25)
InChIKeyRJLPRNPFWLPAIY-UHFFFAOYSA-N
XLogP2.28
TPSA77.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 52.28
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-chloroanilino)-N-(3-chloro-4-methylphenyl)triazolidine-4-carboxamide
CID 75974366
1-(3-chloro-4-fluorophenyl)-N-(3-fluoro-4-methylphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450947
2-N-(3-chloro-4-fluorophenyl)-1-N-(4-chloro-2-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109143094
1-(3-bromo-4-methylphenyl)-3-(3-chloro-4-fluorophenyl)urea
CID 108991868
N-(3-chloro-4-fluorophenyl)-3-(4-chlorophenyl)pyrazolidine-4-carboxamide
CID 75656770
N-(3-chloro-4-fluorophenyl)cyclopentanecarboxamide
CID 845055
N-(3-chloro-4-fluorophenyl)-2,4-dimethylbenzamide
CID 969420
N'-(3-chloro-4-fluorophenyl)-N-(4-methylphenyl)oxamide
CID 44998410
N-(3-chloro-4-fluorophenyl)-2-fluoro-5-methylbenzamide
CID 62510400
(1R)-2,2-dichloro-N-(3-chloro-4-fluorophenyl)cyclopropane-1-carboxamide
CID 7959731
N-(3-chloro-4-fluorophenyl)-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 110766208
N-(3-chloro-4-fluorophenyl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102890479

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(3-fluoro-4-methylanilino)triazolidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-5-(3-fluoro-4-methylanilino)triazolidine-4-carboxamide (CID 75118727) is N-(3-chloro-4-fluorophenyl)-5-(3-fluoro-4-methylanilino)triazolidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-5-(3-fluoro-4-methylanilino)triazolidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-5-(3-fluoro-4-methylanilino)triazolidine-4-carboxamide is Cc1ccc(NC2NNNC2C(=O)Nc2ccc(F)c(Cl)c2)cc1F.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-5-(3-fluoro-4-methylanilino)triazolidine-4-carboxamide?
The InChIKey is RJLPRNPFWLPAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF2N5O/c1-8-2-3-10(7-13(8)19)20-15-14(22-24-23-15)16(25)21-9-4-5-12(18)11(17)6-9/h2-7,14-15,20,22-24H,1H3,(H,21,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-5-(3-fluoro-4-methylanilino)triazolidine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-5-(3-fluoro-4-methylanilino)triazolidine-4-carboxamide has a molecular weight of 367.79 g/mol, XLogP of 2.28, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-5-(3-fluoro-4-methylanilino)triazolidine-4-carboxamide is sourced from PubChem (CID 75118727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).