2-chloro-N-cyclopropyl-N-[3-(2-methylphenyl)cyclobutyl]acetamide

C16H20ClNO — CID 146085964

IUPAC2-chloro-N-cyclopropyl-N-[3-(2-methylphenyl)cyclobutyl]acetamide
SMILESCc1ccccc1C1CC(N(C(=O)CCl)C2CC2)C1
InChIInChI=1S/C16H20ClNO/c1-11-4-2-3-5-15(11)12-8-14(9-12)18(13-6-7-13)16(19)10-17/h2-5,12-14H,6-10H2,1H3
InChIKeyRXOAVXUYVOEPJE-UHFFFAOYSA-N
MW277.79 g/mol
LogP3.47
Rot. Bonds4

About 2-chloro-N-cyclopropyl-N-[3-(2-methylphenyl)cyclobutyl]acetamide

2-chloro-N-cyclopropyl-N-[3-(2-methylphenyl)cyclobutyl]acetamide (PubChem CID 146085964) has the molecular formula C16H20ClNO and a molecular weight of 277.79 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-N-[3-(2-methylphenyl)cyclobutyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-cyclopropyl-N-[3-(2-methylphenyl)cyclobutyl]acetamide
PubChem CID146085964
Molecular FormulaC16H20ClNO
Molecular Weight277.79 g/mol
Exact Mass277.12
IUPAC Name2-chloro-N-cyclopropyl-N-[3-(2-methylphenyl)cyclobutyl]acetamide
SMILESCc1ccccc1C1CC(N(C(=O)CCl)C2CC2)C1
InChIInChI=1S/C16H20ClNO/c1-11-4-2-3-5-15(11)12-8-14(9-12)18(13-6-7-13)16(19)10-17/h2-5,12-14H,6-10H2,1H3
InChIKeyRXOAVXUYVOEPJE-UHFFFAOYSA-N
XLogP3.47
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.79
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-N-cyclopropyl-4-N-[3-(2-methylphenyl)cyclobutyl]benzene-1,4-dicarboxamide
CID 75533709
N-cyclopropyl-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[3-(2-methylphenyl)cyclobutyl]benzamide
CID 75533695
N-[[4-[cyclopropyl-[3-(2-methylphenyl)cyclobutyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 75533693
2-chloro-1-[3-(2-methylphenyl)azetidin-1-yl]ethanone
CID 166431801
3-(2-methylphenyl)cyclobutan-1-ol
CID 60792741
2-chloro-N-cyclopropyl-N-(1-methylpiperidin-4-yl)acetamide
CID 66565784
N-[2-[[3-(2-methylphenyl)cyclobutyl]amino]ethyl]acetamide
CID 43634648
3-(2-methylphenyl)cyclopentane-1-carboxylic acid
CID 82282775
1-cyclopropyl-1-methyl-2-[3-(2-methylphenyl)cyclobutyl]guanidine
CID 120679694
N-methyl-3-(2-methylphenyl)cyclobutan-1-amine
CID 43632423
2-chloro-N-hydroxy-N-(2-methylphenyl)acetamide
CID 134890340
2-(hydroxymethyl)-3-[3-(2-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]propanoic acid
CID 59781447

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-N-[3-(2-methylphenyl)cyclobutyl]acetamide?
The IUPAC name of 2-chloro-N-cyclopropyl-N-[3-(2-methylphenyl)cyclobutyl]acetamide (CID 146085964) is 2-chloro-N-cyclopropyl-N-[3-(2-methylphenyl)cyclobutyl]acetamide.
What is the SMILES notation for 2-chloro-N-cyclopropyl-N-[3-(2-methylphenyl)cyclobutyl]acetamide?
The canonical SMILES for 2-chloro-N-cyclopropyl-N-[3-(2-methylphenyl)cyclobutyl]acetamide is Cc1ccccc1C1CC(N(C(=O)CCl)C2CC2)C1.
What is the InChIKey of 2-chloro-N-cyclopropyl-N-[3-(2-methylphenyl)cyclobutyl]acetamide?
The InChIKey is RXOAVXUYVOEPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO/c1-11-4-2-3-5-15(11)12-8-14(9-12)18(13-6-7-13)16(19)10-17/h2-5,12-14H,6-10H2,1H3.
What are the key properties of 2-chloro-N-cyclopropyl-N-[3-(2-methylphenyl)cyclobutyl]acetamide?
2-chloro-N-cyclopropyl-N-[3-(2-methylphenyl)cyclobutyl]acetamide has a molecular weight of 277.79 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclopropyl-N-[3-(2-methylphenyl)cyclobutyl]acetamide is sourced from PubChem (CID 146085964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).