5-(4-chloroanilino)-N-(furan-2-ylmethyl)triazolidine-4-carboxamide

C14H16ClN5O2 — CID 133269294

IUPAC5-(4-chloroanilino)-N-(furan-2-ylmethyl)triazolidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1NNNC1Nc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN5O2/c15-9-3-5-10(6-4-9)17-13-12(18-20-19-13)14(21)16-8-11-2-1-7-22-11/h1-7,12-13,17-20H,8H2,(H,16,21)
InChIKeyBWKMWTTWFLQPSN-UHFFFAOYSA-N
MW321.77 g/mol
LogP0.97
Rot. Bonds5

About 5-(4-chloroanilino)-N-(furan-2-ylmethyl)triazolidine-4-carboxamide

5-(4-chloroanilino)-N-(furan-2-ylmethyl)triazolidine-4-carboxamide (PubChem CID 133269294) has the molecular formula C14H16ClN5O2 and a molecular weight of 321.77 g/mol. Its IUPAC name is 5-(4-chloroanilino)-N-(furan-2-ylmethyl)triazolidine-4-carboxamide.

Molecular Properties

Compound Name5-(4-chloroanilino)-N-(furan-2-ylmethyl)triazolidine-4-carboxamide
PubChem CID133269294
Molecular FormulaC14H16ClN5O2
Molecular Weight321.77 g/mol
Exact Mass321.10
IUPAC Name5-(4-chloroanilino)-N-(furan-2-ylmethyl)triazolidine-4-carboxamide
SMILESO=C(NCc1ccco1)C1NNNC1Nc1ccc(Cl)cc1
InChIInChI=1S/C14H16ClN5O2/c15-9-3-5-10(6-4-9)17-13-12(18-20-19-13)14(21)16-8-11-2-1-7-22-11/h1-7,12-13,17-20H,8H2,(H,16,21)
InChIKeyBWKMWTTWFLQPSN-UHFFFAOYSA-N
XLogP0.97
TPSA90.36 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 50.97
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-(4-phenylmethoxyanilino)triazolidine-4-carboxamide
CID 75118726
(2S)-1-N-(4-chlorophenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1468967
1-N-(3-chloro-4-fluorophenyl)-2-N-(furan-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109134892
1-N-[2-(4-chlorophenyl)ethyl]-4-N-(furan-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147775
1-N,2-N-bis(furan-2-ylmethyl)-3-methylidenecyclopropane-1,2-dicarboxamide
CID 5237325
1-(4-chloroanilino)-3-(furan-2-ylmethyl)thiourea
CID 8656042
(3R)-1-(4-chlorophenyl)-N-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 765553
2,5-dichloro-N-(furan-2-ylmethyl)benzamide
CID 690467
5-[(4-chlorophenyl)methylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187489
(2R)-1-(4-chlorophenyl)sulfonyl-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 1084870
(2R,3R)-3-(4-chlorophenyl)-N-(furan-2-ylmethyl)-4-methyl-5-oxomorpholine-2-carboxamide
CID 95739590
1-(4-chlorophenyl)-N-(furan-2-ylmethyl)ethenamine;hydroiodide
CID 2806953

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloroanilino)-N-(furan-2-ylmethyl)triazolidine-4-carboxamide?
The IUPAC name of 5-(4-chloroanilino)-N-(furan-2-ylmethyl)triazolidine-4-carboxamide (CID 133269294) is 5-(4-chloroanilino)-N-(furan-2-ylmethyl)triazolidine-4-carboxamide.
What is the SMILES notation for 5-(4-chloroanilino)-N-(furan-2-ylmethyl)triazolidine-4-carboxamide?
The canonical SMILES for 5-(4-chloroanilino)-N-(furan-2-ylmethyl)triazolidine-4-carboxamide is O=C(NCc1ccco1)C1NNNC1Nc1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chloroanilino)-N-(furan-2-ylmethyl)triazolidine-4-carboxamide?
The InChIKey is BWKMWTTWFLQPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O2/c15-9-3-5-10(6-4-9)17-13-12(18-20-19-13)14(21)16-8-11-2-1-7-22-11/h1-7,12-13,17-20H,8H2,(H,16,21).
What are the key properties of 5-(4-chloroanilino)-N-(furan-2-ylmethyl)triazolidine-4-carboxamide?
5-(4-chloroanilino)-N-(furan-2-ylmethyl)triazolidine-4-carboxamide has a molecular weight of 321.77 g/mol, XLogP of 0.97, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloroanilino)-N-(furan-2-ylmethyl)triazolidine-4-carboxamide is sourced from PubChem (CID 133269294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).