2-chloro-2-(3-cyclopropylimidazol-4-yl)-N-ethylacetamide

C10H14ClN3O — CID 66161732

IUPAC2-chloro-2-(3-cyclopropylimidazol-4-yl)-N-ethylacetamide
SMILESCCNC(=O)C(Cl)c1cncn1C1CC1
InChIInChI=1S/C10H14ClN3O/c1-2-13-10(15)9(11)8-5-12-6-14(8)7-3-4-7/h5-7,9H,2-4H2,1H3,(H,13,15)
InChIKeyACKFZARZKJUEJN-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.63
Rot. Bonds4

About 2-chloro-2-(3-cyclopropylimidazol-4-yl)-N-ethylacetamide

2-chloro-2-(3-cyclopropylimidazol-4-yl)-N-ethylacetamide (PubChem CID 66161732) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-2-(3-cyclopropylimidazol-4-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-chloro-2-(3-cyclopropylimidazol-4-yl)-N-ethylacetamide
PubChem CID66161732
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-chloro-2-(3-cyclopropylimidazol-4-yl)-N-ethylacetamide
SMILESCCNC(=O)C(Cl)c1cncn1C1CC1
InChIInChI=1S/C10H14ClN3O/c1-2-13-10(15)9(11)8-5-12-6-14(8)7-3-4-7/h5-7,9H,2-4H2,1H3,(H,13,15)
InChIKeyACKFZARZKJUEJN-UHFFFAOYSA-N
XLogP1.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-ethyl-2-(3-ethylimidazol-4-yl)acetamide
CID 66134051
2-(3-cyclopropylimidazol-4-yl)-2-(methylamino)acetic acid
CID 66140041
ethyl 3-(3-cyclopropylimidazol-4-yl)-3-(dimethylamino)propanoate
CID 66139484
3-(3-cyclopropylimidazol-4-yl)-3-hydroxypropanoic acid
CID 66142482
3-(3-cyclopropylimidazol-4-yl)-3-(diethylamino)propanoic acid
CID 66142290
ethyl 4-(3-cyclopropylimidazol-4-yl)-4-hydroxybutanoate
CID 66162909
1-(3-cyclopropylimidazol-4-yl)-3-methylbutan-1-ol
CID 66141454
2-(3-cyclopentylimidazol-4-yl)propanoic acid
CID 83883850
2-chloro-N-cyclopropyl-2-(3-methylimidazol-4-yl)acetamide
CID 66119152
1-(3-cyclopropylimidazol-4-yl)-2-ethoxyethanol
CID 79567273
(3R)-3-amino-3-(3-cyclopropylimidazol-4-yl)propanamide
CID 79026971
2-(3-cyclopropylimidazol-4-yl)-2-(propylamino)ethanol
CID 66141261

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-(3-cyclopropylimidazol-4-yl)-N-ethylacetamide?
The IUPAC name of 2-chloro-2-(3-cyclopropylimidazol-4-yl)-N-ethylacetamide (CID 66161732) is 2-chloro-2-(3-cyclopropylimidazol-4-yl)-N-ethylacetamide.
What is the SMILES notation for 2-chloro-2-(3-cyclopropylimidazol-4-yl)-N-ethylacetamide?
The canonical SMILES for 2-chloro-2-(3-cyclopropylimidazol-4-yl)-N-ethylacetamide is CCNC(=O)C(Cl)c1cncn1C1CC1.
What is the InChIKey of 2-chloro-2-(3-cyclopropylimidazol-4-yl)-N-ethylacetamide?
The InChIKey is ACKFZARZKJUEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-2-13-10(15)9(11)8-5-12-6-14(8)7-3-4-7/h5-7,9H,2-4H2,1H3,(H,13,15).
What are the key properties of 2-chloro-2-(3-cyclopropylimidazol-4-yl)-N-ethylacetamide?
2-chloro-2-(3-cyclopropylimidazol-4-yl)-N-ethylacetamide has a molecular weight of 227.69 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-(3-cyclopropylimidazol-4-yl)-N-ethylacetamide is sourced from PubChem (CID 66161732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).