N-[1-(2,3-dichlorophenyl)ethyl]triazolidine-4-carboxamide

C11H14Cl2N4O — CID 134068685

IUPACN-[1-(2,3-dichlorophenyl)ethyl]triazolidine-4-carboxamide
SMILESCC(NC(=O)C1CNNN1)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H14Cl2N4O/c1-6(7-3-2-4-8(12)10(7)13)15-11(18)9-5-14-17-16-9/h2-4,6,9,14,16-17H,5H2,1H3,(H,15,18)
InChIKeyPRYJPJAYKSHAEW-UHFFFAOYSA-N
MW289.17 g/mol
LogP1.15
Rot. Bonds3

About N-[1-(2,3-dichlorophenyl)ethyl]triazolidine-4-carboxamide

N-[1-(2,3-dichlorophenyl)ethyl]triazolidine-4-carboxamide (PubChem CID 134068685) has the molecular formula C11H14Cl2N4O and a molecular weight of 289.17 g/mol. Its IUPAC name is N-[1-(2,3-dichlorophenyl)ethyl]triazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,3-dichlorophenyl)ethyl]triazolidine-4-carboxamide
PubChem CID134068685
Molecular FormulaC11H14Cl2N4O
Molecular Weight289.17 g/mol
Exact Mass288.05
IUPAC NameN-[1-(2,3-dichlorophenyl)ethyl]triazolidine-4-carboxamide
SMILESCC(NC(=O)C1CNNN1)c1cccc(Cl)c1Cl
InChIInChI=1S/C11H14Cl2N4O/c1-6(7-3-2-4-8(12)10(7)13)15-11(18)9-5-14-17-16-9/h2-4,6,9,14,16-17H,5H2,1H3,(H,15,18)
InChIKeyPRYJPJAYKSHAEW-UHFFFAOYSA-N
XLogP1.15
TPSA65.19 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.17
LogP ≤ 51.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[1-(2,3-dichlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120933721
N-[(1R)-1-(2-chlorophenyl)ethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 81378542
cis-(1R,2S)-N-[(1S)-1-(2,3-dichlorophenyl)ethyl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95629666
(2R)-N-[1-(2-chlorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 103794027
(2S)-N-[(1R)-1-(2-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 81375531
N-[(1S)-1-(2-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 81378547
2-[1-(2,3-dichlorophenyl)ethylamino]propanoic acid
CID 103914711
N-[1-(2-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 61258238
4-hydroxy-N-[(1S)-1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81380061
3-[1-(2,3-dichlorophenyl)ethyl]-1-methoxy-1-(1-methylpiperidin-4-yl)urea
CID 88868027
N-[2-(3-chlorophenyl)-2-methoxyethyl]triazolidine-4-carboxamide
CID 134068515
1-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-3-[1-(2,3-dichlorophenyl)ethyl]urea
CID 166027575

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dichlorophenyl)ethyl]triazolidine-4-carboxamide?
The IUPAC name of N-[1-(2,3-dichlorophenyl)ethyl]triazolidine-4-carboxamide (CID 134068685) is N-[1-(2,3-dichlorophenyl)ethyl]triazolidine-4-carboxamide.
What is the SMILES notation for N-[1-(2,3-dichlorophenyl)ethyl]triazolidine-4-carboxamide?
The canonical SMILES for N-[1-(2,3-dichlorophenyl)ethyl]triazolidine-4-carboxamide is CC(NC(=O)C1CNNN1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[1-(2,3-dichlorophenyl)ethyl]triazolidine-4-carboxamide?
The InChIKey is PRYJPJAYKSHAEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N4O/c1-6(7-3-2-4-8(12)10(7)13)15-11(18)9-5-14-17-16-9/h2-4,6,9,14,16-17H,5H2,1H3,(H,15,18).
What are the key properties of N-[1-(2,3-dichlorophenyl)ethyl]triazolidine-4-carboxamide?
N-[1-(2,3-dichlorophenyl)ethyl]triazolidine-4-carboxamide has a molecular weight of 289.17 g/mol, XLogP of 1.15, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dichlorophenyl)ethyl]triazolidine-4-carboxamide is sourced from PubChem (CID 134068685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).