N-[2-(3-chlorophenyl)-2-methoxyethyl]triazolidine-4-carboxamide

C12H17ClN4O2 — CID 134068515

IUPACN-[2-(3-chlorophenyl)-2-methoxyethyl]triazolidine-4-carboxamide
SMILESCOC(CNC(=O)C1CNNN1)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN4O2/c1-19-11(8-3-2-4-9(13)5-8)7-14-12(18)10-6-15-17-16-10/h2-5,10-11,15-17H,6-7H2,1H3,(H,14,18)
InChIKeyHYMUVZFRSOYPKJ-UHFFFAOYSA-N
MW284.75 g/mol
LogP0.12
Rot. Bonds5

About N-[2-(3-chlorophenyl)-2-methoxyethyl]triazolidine-4-carboxamide

N-[2-(3-chlorophenyl)-2-methoxyethyl]triazolidine-4-carboxamide (PubChem CID 134068515) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-methoxyethyl]triazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-methoxyethyl]triazolidine-4-carboxamide
PubChem CID134068515
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC NameN-[2-(3-chlorophenyl)-2-methoxyethyl]triazolidine-4-carboxamide
SMILESCOC(CNC(=O)C1CNNN1)c1cccc(Cl)c1
InChIInChI=1S/C12H17ClN4O2/c1-19-11(8-3-2-4-9(13)5-8)7-14-12(18)10-6-15-17-16-10/h2-5,10-11,15-17H,6-7H2,1H3,(H,14,18)
InChIKeyHYMUVZFRSOYPKJ-UHFFFAOYSA-N
XLogP0.12
TPSA74.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-phenylcyclopropane-1-carboxamide
CID 172583738
3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119807217
3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea
CID 95969088
2-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]acetamide;hydrochloride
CID 119337049
3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119807219
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide
CID 96568600
(2R)-N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 96999494
(2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylpropanamide
CID 96517717
1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-[[1-(methylamino)cyclobutyl]methyl]urea
CID 138047573
1-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 96566001
N-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methylamino)butanamide
CID 119807214
N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-cyano-2-methylpropanamide
CID 71993870

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-methoxyethyl]triazolidine-4-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-methoxyethyl]triazolidine-4-carboxamide (CID 134068515) is N-[2-(3-chlorophenyl)-2-methoxyethyl]triazolidine-4-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-methoxyethyl]triazolidine-4-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-methoxyethyl]triazolidine-4-carboxamide is COC(CNC(=O)C1CNNN1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-methoxyethyl]triazolidine-4-carboxamide?
The InChIKey is HYMUVZFRSOYPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-19-11(8-3-2-4-9(13)5-8)7-14-12(18)10-6-15-17-16-10/h2-5,10-11,15-17H,6-7H2,1H3,(H,14,18).
What are the key properties of N-[2-(3-chlorophenyl)-2-methoxyethyl]triazolidine-4-carboxamide?
N-[2-(3-chlorophenyl)-2-methoxyethyl]triazolidine-4-carboxamide has a molecular weight of 284.75 g/mol, XLogP of 0.12, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-methoxyethyl]triazolidine-4-carboxamide is sourced from PubChem (CID 134068515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).