N-(3-cyanopropyl)benzamide

C11H12N2O — CID 62666234

IUPACN-(3-cyanopropyl)benzamide
SMILESN#CCCCNC(=O)c1ccccc1
InChIInChI=1S/C11H12N2O/c12-8-4-5-9-13-11(14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,9H2,(H,13,14)
InChIKeyLCCIYFWKYKYVMX-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.72
Rot. Bonds4

About N-(3-cyanopropyl)benzamide

N-(3-cyanopropyl)benzamide (PubChem CID 62666234) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is N-(3-cyanopropyl)benzamide.

Molecular Properties

Compound NameN-(3-cyanopropyl)benzamide
PubChem CID62666234
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC NameN-(3-cyanopropyl)benzamide
SMILESN#CCCCNC(=O)c1ccccc1
InChIInChI=1S/C11H12N2O/c12-8-4-5-9-13-11(14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,9H2,(H,13,14)
InChIKeyLCCIYFWKYKYVMX-UHFFFAOYSA-N
XLogP1.72
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis(5-cyanopentyl)benzene-1,4-dicarboxamide
CID 11783188
4-(aminomethyl)-N-(3-cyanopropyl)benzamide
CID 62667032
2-chloro-N-(3-cyanopropyl)benzamide
CID 62666629
5-benzamidopentyl selenocyanate
CID 141484233
3-cyano-N-(4-cyanobutyl)benzamide
CID 63284789
N-[2-[3-[(2-cyanoacetyl)amino]propylamino]-2-oxoethyl]benzamide
CID 108924260
phenyl N-(3-cyanopropyl)carbamate
CID 55209795
N-(3-cyanopropyl)-3-propoxybenzamide
CID 62920708
N-(3-cyanopropyl)quinoline-6-carboxamide
CID 55126884
2-anilino-N-(3-cyanopropyl)acetamide
CID 62666657
N-(3-cyanopropyl)-3,5-dimethoxybenzamide
CID 62668308
3-benzamidopropylphosphonic acid
CID 59131688

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanopropyl)benzamide?
The IUPAC name of N-(3-cyanopropyl)benzamide (CID 62666234) is N-(3-cyanopropyl)benzamide.
What is the SMILES notation for N-(3-cyanopropyl)benzamide?
The canonical SMILES for N-(3-cyanopropyl)benzamide is N#CCCCNC(=O)c1ccccc1.
What is the InChIKey of N-(3-cyanopropyl)benzamide?
The InChIKey is LCCIYFWKYKYVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-8-4-5-9-13-11(14)10-6-2-1-3-7-10/h1-3,6-7H,4-5,9H2,(H,13,14).
What are the key properties of N-(3-cyanopropyl)benzamide?
N-(3-cyanopropyl)benzamide has a molecular weight of 188.23 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanopropyl)benzamide is sourced from PubChem (CID 62666234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).