5-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]triazolidine-4-carboxamide

C16H17ClFN5O — CID 75584042

IUPAC5-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]triazolidine-4-carboxamide
SMILESO=C(NCc1ccccc1F)C1NNNC1Nc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClFN5O/c17-11-5-7-12(8-6-11)20-15-14(21-23-22-15)16(24)19-9-10-3-1-2-4-13(10)18/h1-8,14-15,20-23H,9H2,(H,19,24)
InChIKeySGYKICMSXYXPQC-UHFFFAOYSA-N
MW349.80 g/mol
LogP1.51
Rot. Bonds5

About 5-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]triazolidine-4-carboxamide

5-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]triazolidine-4-carboxamide (PubChem CID 75584042) has the molecular formula C16H17ClFN5O and a molecular weight of 349.80 g/mol. Its IUPAC name is 5-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]triazolidine-4-carboxamide.

Molecular Properties

Compound Name5-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]triazolidine-4-carboxamide
PubChem CID75584042
Molecular FormulaC16H17ClFN5O
Molecular Weight349.80 g/mol
Exact Mass349.11
IUPAC Name5-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]triazolidine-4-carboxamide
SMILESO=C(NCc1ccccc1F)C1NNNC1Nc1ccc(Cl)cc1
InChIInChI=1S/C16H17ClFN5O/c17-11-5-7-12(8-6-11)20-15-14(21-23-22-15)16(24)19-9-10-3-1-2-4-13(10)18/h1-8,14-15,20-23H,9H2,(H,19,24)
InChIKeySGYKICMSXYXPQC-UHFFFAOYSA-N
XLogP1.51
TPSA77.22 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.80
LogP ≤ 51.51
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-(4-phenylmethoxyanilino)triazolidine-4-carboxamide
CID 75118726
5-(2-fluoroanilino)-N-[(2-methoxyphenyl)methyl]triazolidine-4-carboxamide
CID 75584069
4-N-(4-chlorophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148389
[5-(4-chloroanilino)triazolidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 75584224
3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide
CID 41499879
2-[(4-chlorophenyl)methylamino]-N-[(2-fluorophenyl)methyl]acetamide
CID 50981009
5-cyclopropyl-N-[(2-fluorophenyl)methyl]pyrazolidine-3-carboxamide
CID 75199573
1-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]-2-oxopyrrolidine-3-carboxamide
CID 46048883
1-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 24636962
2-chloro-N-[(2-fluorophenyl)methyl]benzamide
CID 5082380
N-[(2-fluorophenyl)methyl]carbamoyl bromide
CID 115193660
N'-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]propanediamide
CID 108946285

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]triazolidine-4-carboxamide?
The IUPAC name of 5-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]triazolidine-4-carboxamide (CID 75584042) is 5-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]triazolidine-4-carboxamide.
What is the SMILES notation for 5-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]triazolidine-4-carboxamide?
The canonical SMILES for 5-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]triazolidine-4-carboxamide is O=C(NCc1ccccc1F)C1NNNC1Nc1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]triazolidine-4-carboxamide?
The InChIKey is SGYKICMSXYXPQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClFN5O/c17-11-5-7-12(8-6-11)20-15-14(21-23-22-15)16(24)19-9-10-3-1-2-4-13(10)18/h1-8,14-15,20-23H,9H2,(H,19,24).
What are the key properties of 5-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]triazolidine-4-carboxamide?
5-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]triazolidine-4-carboxamide has a molecular weight of 349.80 g/mol, XLogP of 1.51, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloroanilino)-N-[(2-fluorophenyl)methyl]triazolidine-4-carboxamide is sourced from PubChem (CID 75584042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).