2-chloro-N-(cyclobutylmethyl)-N-(4-hydroxy-3-methylphenyl)acetamide

C14H18ClNO2 — CID 53416901

IUPAC2-chloro-N-(cyclobutylmethyl)-N-(4-hydroxy-3-methylphenyl)acetamide
SMILESCc1cc(N(CC2CCC2)C(=O)CCl)ccc1O
InChIInChI=1S/C14H18ClNO2/c1-10-7-12(5-6-13(10)17)16(14(18)8-15)9-11-3-2-4-11/h5-7,11,17H,2-4,8-9H2,1H3
InChIKeyVOGXDJVWCIYXNA-UHFFFAOYSA-N
MW267.76 g/mol
LogP3.07
Rot. Bonds4

About 2-chloro-N-(cyclobutylmethyl)-N-(4-hydroxy-3-methylphenyl)acetamide

2-chloro-N-(cyclobutylmethyl)-N-(4-hydroxy-3-methylphenyl)acetamide (PubChem CID 53416901) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-chloro-N-(cyclobutylmethyl)-N-(4-hydroxy-3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(cyclobutylmethyl)-N-(4-hydroxy-3-methylphenyl)acetamide
PubChem CID53416901
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name2-chloro-N-(cyclobutylmethyl)-N-(4-hydroxy-3-methylphenyl)acetamide
SMILESCc1cc(N(CC2CCC2)C(=O)CCl)ccc1O
InChIInChI=1S/C14H18ClNO2/c1-10-7-12(5-6-13(10)17)16(14(18)8-15)9-11-3-2-4-11/h5-7,11,17H,2-4,8-9H2,1H3
InChIKeyVOGXDJVWCIYXNA-UHFFFAOYSA-N
XLogP3.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclobutylmethyl)-N-(4-hydroxy-3-methylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(cyclobutylmethyl)-N-(4-hydroxy-3-methylphenyl)acetamide (CID 53416901) is 2-chloro-N-(cyclobutylmethyl)-N-(4-hydroxy-3-methylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(cyclobutylmethyl)-N-(4-hydroxy-3-methylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(cyclobutylmethyl)-N-(4-hydroxy-3-methylphenyl)acetamide is Cc1cc(N(CC2CCC2)C(=O)CCl)ccc1O.
What is the InChIKey of 2-chloro-N-(cyclobutylmethyl)-N-(4-hydroxy-3-methylphenyl)acetamide?
The InChIKey is VOGXDJVWCIYXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10-7-12(5-6-13(10)17)16(14(18)8-15)9-11-3-2-4-11/h5-7,11,17H,2-4,8-9H2,1H3.
What are the key properties of 2-chloro-N-(cyclobutylmethyl)-N-(4-hydroxy-3-methylphenyl)acetamide?
2-chloro-N-(cyclobutylmethyl)-N-(4-hydroxy-3-methylphenyl)acetamide has a molecular weight of 267.76 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclobutylmethyl)-N-(4-hydroxy-3-methylphenyl)acetamide is sourced from PubChem (CID 53416901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).