2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide

C18H27ClN2O — CID 16625893

IUPAC2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
SMILESCN(C)C1(CNC(=O)Cc2ccc(Cl)cc2)CCCCCC1
InChIInChI=1S/C18H27ClN2O/c1-21(2)18(11-5-3-4-6-12-18)14-20-17(22)13-15-7-9-16(19)10-8-15/h7-10H,3-6,11-14H2,1-2H3,(H,20,22)
InChIKeyVJDTWFIHXJKUJU-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.65
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide

2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide (PubChem CID 16625893) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
PubChem CID16625893
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide
SMILESCN(C)C1(CNC(=O)Cc2ccc(Cl)cc2)CCCCCC1
InChIInChI=1S/C18H27ClN2O/c1-21(2)18(11-5-3-4-6-12-18)14-20-17(22)13-15-7-9-16(19)10-8-15/h7-10H,3-6,11-14H2,1-2H3,(H,20,22)
InChIKeyVJDTWFIHXJKUJU-UHFFFAOYSA-N
XLogP3.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]acetamide;hydrochloride
CID 20995022
3-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]propanamide
CID 24647173
N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 46408847
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide
CID 103969492
2-(4-carbamothioylphenyl)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide
CID 105418009
1-[(4-chlorophenyl)methyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]triazole-4-carboxamide
CID 42348988
4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 61251736
1-(4-chlorophenyl)-3-[[1-(dimethylamino)cyclohexyl]methyl]thiourea
CID 8771058
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-(4-chlorophenyl)acetamide
CID 115455902
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide
CID 115267473
N-[[1-(dimethylamino)cyclohexyl]methyl]-3-(4-fluorophenyl)propanamide
CID 71944374
4-chloro-N-[2-[[1-(dimethylamino)cycloheptyl]methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 24647121

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide (CID 16625893) is 2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide is CN(C)C1(CNC(=O)Cc2ccc(Cl)cc2)CCCCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide?
The InChIKey is VJDTWFIHXJKUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O/c1-21(2)18(11-5-3-4-6-12-18)14-20-17(22)13-15-7-9-16(19)10-8-15/h7-10H,3-6,11-14H2,1-2H3,(H,20,22).
What are the key properties of 2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide?
2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide has a molecular weight of 322.88 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[[1-(dimethylamino)cycloheptyl]methyl]acetamide is sourced from PubChem (CID 16625893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).