2-chloro-N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]acetamide

C10H17ClN4O — CID 166406372

IUPAC2-chloro-N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]acetamide
SMILESCC(C)n1cc(C(C)(C)NC(=O)CCl)nn1
InChIInChI=1S/C10H17ClN4O/c1-7(2)15-6-8(13-14-15)10(3,4)12-9(16)5-11/h6-7H,5H2,1-4H3,(H,12,16)
InChIKeyBUGDRICSULKIKY-UHFFFAOYSA-N
MW244.73 g/mol
LogP1.45
Rot. Bonds4

About 2-chloro-N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]acetamide

2-chloro-N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]acetamide (PubChem CID 166406372) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 2-chloro-N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]acetamide
PubChem CID166406372
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name2-chloro-N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]acetamide
SMILESCC(C)n1cc(C(C)(C)NC(=O)CCl)nn1
InChIInChI=1S/C10H17ClN4O/c1-7(2)15-6-8(13-14-15)10(3,4)12-9(16)5-11/h6-7H,5H2,1-4H3,(H,12,16)
InChIKeyBUGDRICSULKIKY-UHFFFAOYSA-N
XLogP1.45
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-2-(1-propan-2-yltriazol-4-yl)acetamide
CID 160790672
2-(1-propan-2-yltriazol-4-yl)butan-2-ol
CID 130560981
N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]-4,5,6,7-tetrahydro-1H-indazole-4-carboxamide
CID 154746273
2-[4-(2-hydroxypropan-2-yl)triazol-1-yl]propan-1-ol
CID 130503451
N-propan-2-yl-2-(1-propan-2-yltriazol-4-yl)acetamide
CID 155773037
2-[4-(2-aminopropan-2-yl)triazol-1-yl]-N-(2-methylbutan-2-yl)propanamide
CID 63999337
3-methyl-4-[2-[2-(1-methyltriazol-4-yl)propan-2-ylamino]-2-oxoethyl]benzoic acid
CID 166275432
N-tert-butyl-2-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]acetamide
CID 128981193
2-chloro-N-[2-(1-methylindol-3-yl)propan-2-yl]acetamide
CID 116829549
N-[2-(3-bromo-1,2-oxazol-5-yl)propan-2-yl]-2-chloroacetamide
CID 166419720
4-(5-methylundecan-5-yl)-1-propan-2-yltriazole
CID 126762814
2-(1-pentan-2-yltriazol-4-yl)propan-2-ol
CID 107886607

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]acetamide (CID 166406372) is 2-chloro-N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]acetamide is CC(C)n1cc(C(C)(C)NC(=O)CCl)nn1.
What is the InChIKey of 2-chloro-N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]acetamide?
The InChIKey is BUGDRICSULKIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-7(2)15-6-8(13-14-15)10(3,4)12-9(16)5-11/h6-7H,5H2,1-4H3,(H,12,16).
What are the key properties of 2-chloro-N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]acetamide?
2-chloro-N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]acetamide has a molecular weight of 244.73 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(1-propan-2-yltriazol-4-yl)propan-2-yl]acetamide is sourced from PubChem (CID 166406372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).