benzamide;hexanoic acid

C13H19NO3 — CID 19438402

IUPACbenzamide;hexanoic acid
SMILESCCCCCC(=O)O.NC(=O)c1ccccc1
InChIInChI=1S/C7H7NO.C6H12O2/c8-7(9)6-4-2-1-3-5-6;1-2-3-4-5-6(7)8/h1-5H,(H2,8,9);2-5H2,1H3,(H,7,8)
InChIKeyJHQYAZHLRDVREZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.44
Rot. Bonds5

About benzamide;hexanoic acid

benzamide;hexanoic acid (PubChem CID 19438402) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is benzamide;hexanoic acid.

Molecular Properties

Compound Namebenzamide;hexanoic acid
PubChem CID19438402
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namebenzamide;hexanoic acid
SMILESCCCCCC(=O)O.NC(=O)c1ccccc1
InChIInChI=1S/C7H7NO.C6H12O2/c8-7(9)6-4-2-1-3-5-6;1-2-3-4-5-6(7)8/h1-5H,(H2,8,9);2-5H2,1H3,(H,7,8)
InChIKeyJHQYAZHLRDVREZ-UHFFFAOYSA-N
XLogP2.44
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,4-dicarboxamide;undecanamide
CID 175165478
benzene-1,3-dicarboxamide;hexanedioic acid
CID 175137558
benzene;hexadecanoic acid
CID 162199490
benzene;decanoic acid
CID 159351150
bis(decanedioic acid);tetrakis(4-methylbenzamide)
CID 139195155
cobalt;octanoic acid;1,2-xylene
CID 175075701
carbamic acid;docosanoic acid
CID 170310073
heptanoic acid;methane;phenylmethanamine
CID 158877001
bis(2-benzamidoacetic acid);heptanoic acid;hexanoic acid
CID 174051759
benzoic acid;tris(octadec-9-enoic acid)
CID 161443012
1-phenylheptadecan-1-one
CID 577626
bis(decanoic acid);triphenylbismuthane
CID 157172674

Frequently Asked Questions

What is the IUPAC name of benzamide;hexanoic acid?
The IUPAC name of benzamide;hexanoic acid (CID 19438402) is benzamide;hexanoic acid.
What is the SMILES notation for benzamide;hexanoic acid?
The canonical SMILES for benzamide;hexanoic acid is CCCCCC(=O)O.NC(=O)c1ccccc1.
What is the InChIKey of benzamide;hexanoic acid?
The InChIKey is JHQYAZHLRDVREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.C6H12O2/c8-7(9)6-4-2-1-3-5-6;1-2-3-4-5-6(7)8/h1-5H,(H2,8,9);2-5H2,1H3,(H,7,8).
What are the key properties of benzamide;hexanoic acid?
benzamide;hexanoic acid has a molecular weight of 237.30 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;hexanoic acid is sourced from PubChem (CID 19438402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).