2-chloro-N-[(2-cyclobutylphenyl)methyl]acetamide

C13H16ClNO — CID 166408399

IUPAC2-chloro-N-[(2-cyclobutylphenyl)methyl]acetamide
SMILESO=C(CCl)NCc1ccccc1C1CCC1
InChIInChI=1S/C13H16ClNO/c14-8-13(16)15-9-11-4-1-2-7-12(11)10-5-3-6-10/h1-2,4,7,10H,3,5-6,8-9H2,(H,15,16)
InChIKeyVTRNNNPTKRNKBX-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.81
Rot. Bonds4

About 2-chloro-N-[(2-cyclobutylphenyl)methyl]acetamide

2-chloro-N-[(2-cyclobutylphenyl)methyl]acetamide (PubChem CID 166408399) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-chloro-N-[(2-cyclobutylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(2-cyclobutylphenyl)methyl]acetamide
PubChem CID166408399
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name2-chloro-N-[(2-cyclobutylphenyl)methyl]acetamide
SMILESO=C(CCl)NCc1ccccc1C1CCC1
InChIInChI=1S/C13H16ClNO/c14-8-13(16)15-9-11-4-1-2-7-12(11)10-5-3-6-10/h1-2,4,7,10H,3,5-6,8-9H2,(H,15,16)
InChIKeyVTRNNNPTKRNKBX-UHFFFAOYSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.81
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

2-chloro-N-[(3-cyclopropyl-2-methylphenyl)methyl]acetamide
CID 166430876
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
1-(2-cyclopentylphenyl)propan-2-one
CID 83832084
2-(2-cyclopentylphenyl)acetamide
CID 68862878
methyl 2-(2-cyclopentylphenyl)acetate
CID 117047538
2-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 57455734
2-[(2-cyclopropylphenyl)methylamino]acetic acid
CID 79979274
3-(2-cyclobutylphenyl)-1-cyclopropylpropan-1-one
CID 114606118
2-chloro-N-[(3-cyclopropyl-4-methylphenyl)methyl]acetamide
CID 166419507
2-chloro-N-[(4-cyclopropyl-2-methylphenyl)methyl]acetamide
CID 166429838
N-[2-[(4R)-azepan-4-yl]phenyl]-2-chloroacetamide
CID 124638804
methyl 5-(2-cyclobutylphenyl)-4-oxopentanoate
CID 114605935

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-cyclobutylphenyl)methyl]acetamide?
The IUPAC name of 2-chloro-N-[(2-cyclobutylphenyl)methyl]acetamide (CID 166408399) is 2-chloro-N-[(2-cyclobutylphenyl)methyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(2-cyclobutylphenyl)methyl]acetamide?
The canonical SMILES for 2-chloro-N-[(2-cyclobutylphenyl)methyl]acetamide is O=C(CCl)NCc1ccccc1C1CCC1.
What is the InChIKey of 2-chloro-N-[(2-cyclobutylphenyl)methyl]acetamide?
The InChIKey is VTRNNNPTKRNKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c14-8-13(16)15-9-11-4-1-2-7-12(11)10-5-3-6-10/h1-2,4,7,10H,3,5-6,8-9H2,(H,15,16).
What are the key properties of 2-chloro-N-[(2-cyclobutylphenyl)methyl]acetamide?
2-chloro-N-[(2-cyclobutylphenyl)methyl]acetamide has a molecular weight of 237.73 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-cyclobutylphenyl)methyl]acetamide is sourced from PubChem (CID 166408399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).