2-chloro-N-cyclopropyl-2-phenylacetamide

C11H12ClNO — CID 4198552

IUPAC2-chloro-N-cyclopropyl-2-phenylacetamide
SMILESO=C(NC1CC1)C(Cl)c1ccccc1
InChIInChI=1S/C11H12ClNO/c12-10(8-4-2-1-3-5-8)11(14)13-9-6-7-9/h1-5,9-10H,6-7H2,(H,13,14)
InChIKeyNWXIWIFEVYUKJT-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.25
Rot. Bonds3

About 2-chloro-N-cyclopropyl-2-phenylacetamide

2-chloro-N-cyclopropyl-2-phenylacetamide (PubChem CID 4198552) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-2-phenylacetamide
PubChem CID4198552
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name2-chloro-N-cyclopropyl-2-phenylacetamide
SMILESO=C(NC1CC1)C(Cl)c1ccccc1
InChIInChI=1S/C11H12ClNO/c12-10(8-4-2-1-3-5-8)11(14)13-9-6-7-9/h1-5,9-10H,6-7H2,(H,13,14)
InChIKeyNWXIWIFEVYUKJT-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Fenaclon
CID 9376
N-Cyclohexyl-2-phenylacetamide
CID 82500
N-(pentan-2-yl)-2-phenylacetamide
CID 2886843
2-Chloro-N-phenethyl-acetamide
CID 94921
2-Chloro-2-phenyl-1-(pyrrolidin-1-yl)ethan-1-one
CID 4962513
N-Ethylphenylacetamide
CID 79591
N-Benzyl-2-chloro-2-phenylacetamide
CID 147187
N-butyl-2-phenylacetamide
CID 221447
2-(4-chlorophenyl)-N-cycloheptylacetamide
CID 875700
4-phenyl-N-(propan-2-yl)butanamide
CID 885953
(2S)-2-amino-N-[(2S)-1-[[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 6610326
2-(3-Chloro-phenyl)-N-cyclohexyl-acetamide
CID 11379742

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-2-phenylacetamide?
The IUPAC name of 2-chloro-N-cyclopropyl-2-phenylacetamide (CID 4198552) is 2-chloro-N-cyclopropyl-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-2-phenylacetamide is O=C(NC1CC1)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-cyclopropyl-2-phenylacetamide?
The InChIKey is NWXIWIFEVYUKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c12-10(8-4-2-1-3-5-8)11(14)13-9-6-7-9/h1-5,9-10H,6-7H2,(H,13,14).
What are the key properties of 2-chloro-N-cyclopropyl-2-phenylacetamide?
2-chloro-N-cyclopropyl-2-phenylacetamide has a molecular weight of 209.68 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-2-phenylacetamide is sourced from PubChem (CID 4198552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).