2,6-dichloro-N-(1-propan-2-ylazepan-4-yl)benzamide

C16H22Cl2N2O — CID 155556170

IUPAC2,6-dichloro-N-(1-propan-2-ylazepan-4-yl)benzamide
SMILESCC(C)N1CCCC(NC(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H22Cl2N2O/c1-11(2)20-9-4-5-12(8-10-20)19-16(21)15-13(17)6-3-7-14(15)18/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H,19,21)
InChIKeyIPVHAHFWPXTHLM-UHFFFAOYSA-N
MW329.27 g/mol
LogP3.99
Rot. Bonds3

About 2,6-dichloro-N-(1-propan-2-ylazepan-4-yl)benzamide

2,6-dichloro-N-(1-propan-2-ylazepan-4-yl)benzamide (PubChem CID 155556170) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 2,6-dichloro-N-(1-propan-2-ylazepan-4-yl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-(1-propan-2-ylazepan-4-yl)benzamide
PubChem CID155556170
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name2,6-dichloro-N-(1-propan-2-ylazepan-4-yl)benzamide
SMILESCC(C)N1CCCC(NC(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H22Cl2N2O/c1-11(2)20-9-4-5-12(8-10-20)19-16(21)15-13(17)6-3-7-14(15)18/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H,19,21)
InChIKeyIPVHAHFWPXTHLM-UHFFFAOYSA-N
XLogP3.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 110751950
3-chloro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236690
2,6-dichloro-N-(1-propylpiperidin-4-yl)benzamide
CID 17249839
N-(4-aminocyclohexyl)-2,6-dichlorobenzamide
CID 62313124
3,6-dichloro-N-(1-propan-2-ylpiperidin-4-yl)pyridine-2-carboxamide
CID 51255447
2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428069
5-chloro-N-(1-propan-2-ylpiperidin-4-yl)pyrazine-2-carboxamide
CID 107240375
2-chloro-4,5-difluoro-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 17173512
4-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 25236563
N-(1-propan-2-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 25236647
2-chloro-N-(1-propan-2-ylpiperidin-4-yl)acetamide;hydrochloride
CID 54593359
1-(3-chloro-4-methylphenyl)-3-(1-propan-2-ylpiperidin-4-yl)urea
CID 24528836

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(1-propan-2-ylazepan-4-yl)benzamide?
The IUPAC name of 2,6-dichloro-N-(1-propan-2-ylazepan-4-yl)benzamide (CID 155556170) is 2,6-dichloro-N-(1-propan-2-ylazepan-4-yl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-(1-propan-2-ylazepan-4-yl)benzamide?
The canonical SMILES for 2,6-dichloro-N-(1-propan-2-ylazepan-4-yl)benzamide is CC(C)N1CCCC(NC(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 2,6-dichloro-N-(1-propan-2-ylazepan-4-yl)benzamide?
The InChIKey is IPVHAHFWPXTHLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-11(2)20-9-4-5-12(8-10-20)19-16(21)15-13(17)6-3-7-14(15)18/h3,6-7,11-12H,4-5,8-10H2,1-2H3,(H,19,21).
What are the key properties of 2,6-dichloro-N-(1-propan-2-ylazepan-4-yl)benzamide?
2,6-dichloro-N-(1-propan-2-ylazepan-4-yl)benzamide has a molecular weight of 329.27 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(1-propan-2-ylazepan-4-yl)benzamide is sourced from PubChem (CID 155556170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).