N-(butylideneamino)-2-chlorobenzamide

C11H13ClN2O — CID 4033779

IUPACN-(butylideneamino)-2-chlorobenzamide
SMILESCCCC=NNC(=O)c1ccccc1Cl
InChIInChI=1S/C11H13ClN2O/c1-2-3-8-13-14-11(15)9-6-4-5-7-10(9)12/h4-8H,2-3H2,1H3,(H,14,15)
InChIKeyQLDLZDCCRMTLJR-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.86
Rot. Bonds4

About N-(butylideneamino)-2-chlorobenzamide

N-(butylideneamino)-2-chlorobenzamide (PubChem CID 4033779) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is N-(butylideneamino)-2-chlorobenzamide.

Molecular Properties

Compound NameN-(butylideneamino)-2-chlorobenzamide
PubChem CID4033779
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC NameN-(butylideneamino)-2-chlorobenzamide
SMILESCCCC=NNC(=O)c1ccccc1Cl
InChIInChI=1S/C11H13ClN2O/c1-2-3-8-13-14-11(15)9-6-4-5-7-10(9)12/h4-8H,2-3H2,1H3,(H,14,15)
InChIKeyQLDLZDCCRMTLJR-UHFFFAOYSA-N
XLogP2.86
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(pentylideneamino)benzamide
CID 3686688
2-chloro-N-(pentan-3-ylideneamino)benzamide
CID 4620662
2-chloro-N-[(Z)-(2,6-dimethylphenyl)methylideneamino]benzamide
CID 7416956
2-chloro-N-[2-(4,4,5,5-tetramethyl-1,3-dioxolan-2-ylidene)ethylideneamino]benzamide
CID 5177219
2-chloro-N-[(2-methylphenyl)methylideneamino]benzamide
CID 775121
N-[(E)-butylideneamino]thiophene-2-carboxamide
CID 6114128
2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 904314
2-chloro-N-[(Z)-(4-pentoxyphenyl)methylideneamino]benzamide
CID 7782249
2-chloro-N-(1H-pyrrol-2-ylmethylideneamino)benzamide
CID 904379
2-chloro-N-[(Z)-(3,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509238
N-[(Z)-butylideneamino]-1-oxidopyridin-1-ium-4-carboxamide
CID 6146722
2-chloro-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide
CID 9016239

Frequently Asked Questions

What is the IUPAC name of N-(butylideneamino)-2-chlorobenzamide?
The IUPAC name of N-(butylideneamino)-2-chlorobenzamide (CID 4033779) is N-(butylideneamino)-2-chlorobenzamide.
What is the SMILES notation for N-(butylideneamino)-2-chlorobenzamide?
The canonical SMILES for N-(butylideneamino)-2-chlorobenzamide is CCCC=NNC(=O)c1ccccc1Cl.
What is the InChIKey of N-(butylideneamino)-2-chlorobenzamide?
The InChIKey is QLDLZDCCRMTLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-2-3-8-13-14-11(15)9-6-4-5-7-10(9)12/h4-8H,2-3H2,1H3,(H,14,15).
What are the key properties of N-(butylideneamino)-2-chlorobenzamide?
N-(butylideneamino)-2-chlorobenzamide has a molecular weight of 224.69 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butylideneamino)-2-chlorobenzamide is sourced from PubChem (CID 4033779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).