3-(azecane-1-carbonyl)benzamide

C17H24N2O2 — CID 66696565

IUPAC3-(azecane-1-carbonyl)benzamide
SMILESNC(=O)c1cccc(C(=O)N2CCCCCCCCC2)c1
InChIInChI=1S/C17H24N2O2/c18-16(20)14-9-8-10-15(13-14)17(21)19-11-6-4-2-1-3-5-7-12-19/h8-10,13H,1-7,11-12H2,(H2,18,20)
InChIKeyJZCOPDOUPBHJGA-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.97
Rot. Bonds2

About 3-(azecane-1-carbonyl)benzamide

3-(azecane-1-carbonyl)benzamide (PubChem CID 66696565) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-(azecane-1-carbonyl)benzamide.

Molecular Properties

Compound Name3-(azecane-1-carbonyl)benzamide
PubChem CID66696565
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-(azecane-1-carbonyl)benzamide
SMILESNC(=O)c1cccc(C(=O)N2CCCCCCCCC2)c1
InChIInChI=1S/C17H24N2O2/c18-16(20)14-9-8-10-15(13-14)17(21)19-11-6-4-2-1-3-5-7-12-19/h8-10,13H,1-7,11-12H2,(H2,18,20)
InChIKeyJZCOPDOUPBHJGA-UHFFFAOYSA-N
XLogP2.97
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azacyclotridecane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 66718983
4-(azepane-1-carbonyl)benzamide;benzene-1,3-dicarboxamide
CID 22001051
3-(azepane-1-carbonyl)benzamide;hexanediamide
CID 66769264
3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 71189662
3-(azepane-1-carbonyl)benzamide;hexanamide
CID 70232811
4-(azacycloundecane-1-carbonyl)benzamide
CID 22253818
(3-aminophenyl)-(azocan-1-yl)methanone;hydrochloride
CID 119676424
4-(azepane-1-carbonyl)benzamide;6-(azepan-1-yl)-6-oxohexanamide;benzene-1,3-dicarboxamide
CID 66781431
3-(azetidine-1-carbonyl)benzoic acid
CID 127019188
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623

Frequently Asked Questions

What is the IUPAC name of 3-(azecane-1-carbonyl)benzamide?
The IUPAC name of 3-(azecane-1-carbonyl)benzamide (CID 66696565) is 3-(azecane-1-carbonyl)benzamide.
What is the SMILES notation for 3-(azecane-1-carbonyl)benzamide?
The canonical SMILES for 3-(azecane-1-carbonyl)benzamide is NC(=O)c1cccc(C(=O)N2CCCCCCCCC2)c1.
What is the InChIKey of 3-(azecane-1-carbonyl)benzamide?
The InChIKey is JZCOPDOUPBHJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c18-16(20)14-9-8-10-15(13-14)17(21)19-11-6-4-2-1-3-5-7-12-19/h8-10,13H,1-7,11-12H2,(H2,18,20).
What are the key properties of 3-(azecane-1-carbonyl)benzamide?
3-(azecane-1-carbonyl)benzamide has a molecular weight of 288.39 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azecane-1-carbonyl)benzamide is sourced from PubChem (CID 66696565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).