2-chloro-N-(cyclobutylmethyl)-N-(3-propan-2-ylphenyl)acetamide

C16H22ClNO — CID 91755475

IUPAC2-chloro-N-(cyclobutylmethyl)-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(N(CC2CCC2)C(=O)CCl)c1
InChIInChI=1S/C16H22ClNO/c1-12(2)14-7-4-8-15(9-14)18(16(19)10-17)11-13-5-3-6-13/h4,7-9,12-13H,3,5-6,10-11H2,1-2H3
InChIKeyPEFMSYAEBXPOTK-UHFFFAOYSA-N
MW279.81 g/mol
LogP4.18
Rot. Bonds5

About 2-chloro-N-(cyclobutylmethyl)-N-(3-propan-2-ylphenyl)acetamide

2-chloro-N-(cyclobutylmethyl)-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 91755475) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 2-chloro-N-(cyclobutylmethyl)-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(cyclobutylmethyl)-N-(3-propan-2-ylphenyl)acetamide
PubChem CID91755475
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name2-chloro-N-(cyclobutylmethyl)-N-(3-propan-2-ylphenyl)acetamide
SMILESCC(C)c1cccc(N(CC2CCC2)C(=O)CCl)c1
InChIInChI=1S/C16H22ClNO/c1-12(2)14-7-4-8-15(9-14)18(16(19)10-17)11-13-5-3-6-13/h4,7-9,12-13H,3,5-6,10-11H2,1-2H3
InChIKeyPEFMSYAEBXPOTK-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 54.18
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

2-chloro-N-(cyclohexylmethyl)-N-(3-propan-2-ylphenyl)acetamide
CID 53416918
2-chloro-N-(cyclobutylmethyl)-N-(4-hydroxy-3-methylphenyl)acetamide
CID 53416901
2-chloro-N-(cyclobutylmethyl)-N-naphthalen-1-ylacetamide
CID 53416906
[3-[3-[cyclohexylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]phenyl]-3-hydroxypropyl]carbamic acid
CID 67296417
2-amino-N-(cyclobutylmethyl)-N-phenylacetamide;hydrochloride
CID 119337195
N-methyl-N-(piperidin-4-ylmethyl)-3-propan-2-ylaniline
CID 119930941
tert-butyl N-(cyclohexylmethyl)-N-[3-[(1R)-1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]carbamate
CID 86641455
tert-butyl N-(cyclohexylmethyl)-N-[3-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]carbamate
CID 91141111
N-phenyl-N-[[(3R)-1-(2-phenylpropyl)piperidin-3-yl]methyl]propanamide
CID 59101556
2-chloro-N-(cyclopropylmethyl)-N-[4-methoxy-3-(trifluoromethyl)phenyl]acetamide
CID 53416951
N-methyl-N-(3-propan-2-ylphenyl)-2-sulfanylacetamide
CID 21131546
N-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)propanamide
CID 25181844

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclobutylmethyl)-N-(3-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(cyclobutylmethyl)-N-(3-propan-2-ylphenyl)acetamide (CID 91755475) is 2-chloro-N-(cyclobutylmethyl)-N-(3-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(cyclobutylmethyl)-N-(3-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(cyclobutylmethyl)-N-(3-propan-2-ylphenyl)acetamide is CC(C)c1cccc(N(CC2CCC2)C(=O)CCl)c1.
What is the InChIKey of 2-chloro-N-(cyclobutylmethyl)-N-(3-propan-2-ylphenyl)acetamide?
The InChIKey is PEFMSYAEBXPOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c1-12(2)14-7-4-8-15(9-14)18(16(19)10-17)11-13-5-3-6-13/h4,7-9,12-13H,3,5-6,10-11H2,1-2H3.
What are the key properties of 2-chloro-N-(cyclobutylmethyl)-N-(3-propan-2-ylphenyl)acetamide?
2-chloro-N-(cyclobutylmethyl)-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 279.81 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclobutylmethyl)-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 91755475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).