3-chloro-N-(nonylideneamino)benzamide

C16H23ClN2O — CID 3638264

IUPAC3-chloro-N-(nonylideneamino)benzamide
SMILESCCCCCCCCC=NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-2-3-4-5-6-7-8-12-18-19-16(20)14-10-9-11-15(17)13-14/h9-13H,2-8H2,1H3,(H,19,20)
InChIKeyRXVRRFRNSPYGBM-UHFFFAOYSA-N
MW294.83 g/mol
LogP4.81
Rot. Bonds9

About 3-chloro-N-(nonylideneamino)benzamide

3-chloro-N-(nonylideneamino)benzamide (PubChem CID 3638264) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 3-chloro-N-(nonylideneamino)benzamide.

Molecular Properties

Compound Name3-chloro-N-(nonylideneamino)benzamide
PubChem CID3638264
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name3-chloro-N-(nonylideneamino)benzamide
SMILESCCCCCCCCC=NNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-2-3-4-5-6-7-8-12-18-19-16(20)14-10-9-11-15(17)13-14/h9-13H,2-8H2,1H3,(H,19,20)
InChIKeyRXVRRFRNSPYGBM-UHFFFAOYSA-N
XLogP4.81
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-[(E)-octylideneamino]-3-sulfamoylbenzamide
CID 10247913
5-chloro-N-(heptylideneamino)-2-methoxybenzamide
CID 4192386
N-[(E)-hexylideneamino]-4-hydroxybenzamide
CID 24749613
N-(dodecylideneamino)-3,5-dinitrobenzamide
CID 3258147
N-(heptylideneamino)-4-nitrobenzamide
CID 4526908
N-[(E)-1-(3-chlorophenyl)propylideneamino]nonanamide
CID 6063002
N-[(Z)-benzylideneamino]-3-chlorobenzamide
CID 5409510
3-chloro-N-[(Z)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 5404639
3-chloro-N-(3-hexoxyphenyl)benzamide
CID 17094792
N-[4-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]pentanamide
CID 4940346
3-chloro-N-[(4-fluorophenyl)methylideneamino]benzamide
CID 771424
3-chloro-N-[(Z)-(2,3-dichlorophenyl)methylideneamino]benzamide
CID 5407459

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(nonylideneamino)benzamide?
The IUPAC name of 3-chloro-N-(nonylideneamino)benzamide (CID 3638264) is 3-chloro-N-(nonylideneamino)benzamide.
What is the SMILES notation for 3-chloro-N-(nonylideneamino)benzamide?
The canonical SMILES for 3-chloro-N-(nonylideneamino)benzamide is CCCCCCCCC=NNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-(nonylideneamino)benzamide?
The InChIKey is RXVRRFRNSPYGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-2-3-4-5-6-7-8-12-18-19-16(20)14-10-9-11-15(17)13-14/h9-13H,2-8H2,1H3,(H,19,20).
What are the key properties of 3-chloro-N-(nonylideneamino)benzamide?
3-chloro-N-(nonylideneamino)benzamide has a molecular weight of 294.83 g/mol, XLogP of 4.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(nonylideneamino)benzamide is sourced from PubChem (CID 3638264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).