N-[4-[benzyl(methyl)amino]butyl]-4-chlorobenzamide

C19H23ClN2O — CID 118607455

IUPACN-[4-[benzyl(methyl)amino]butyl]-4-chlorobenzamide
SMILESCN(CCCCNC(=O)c1ccc(Cl)cc1)Cc1ccccc1
InChIInChI=1S/C19H23ClN2O/c1-22(15-16-7-3-2-4-8-16)14-6-5-13-21-19(23)17-9-11-18(20)12-10-17/h2-4,7-12H,5-6,13-15H2,1H3,(H,21,23)
InChIKeyYUDTTWNDIWVWMJ-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.98
Rot. Bonds8

About N-[4-[benzyl(methyl)amino]butyl]-4-chlorobenzamide

N-[4-[benzyl(methyl)amino]butyl]-4-chlorobenzamide (PubChem CID 118607455) has the molecular formula C19H23ClN2O and a molecular weight of 330.86 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)amino]butyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)amino]butyl]-4-chlorobenzamide
PubChem CID118607455
Molecular FormulaC19H23ClN2O
Molecular Weight330.86 g/mol
Exact Mass330.15
IUPAC NameN-[4-[benzyl(methyl)amino]butyl]-4-chlorobenzamide
SMILESCN(CCCCNC(=O)c1ccc(Cl)cc1)Cc1ccccc1
InChIInChI=1S/C19H23ClN2O/c1-22(15-16-7-3-2-4-8-16)14-6-5-13-21-19(23)17-9-11-18(20)12-10-17/h2-4,7-12H,5-6,13-15H2,1H3,(H,21,23)
InChIKeyYUDTTWNDIWVWMJ-UHFFFAOYSA-N
XLogP3.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.98
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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Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)amino]butyl]-4-chlorobenzamide?
The IUPAC name of N-[4-[benzyl(methyl)amino]butyl]-4-chlorobenzamide (CID 118607455) is N-[4-[benzyl(methyl)amino]butyl]-4-chlorobenzamide.
What is the SMILES notation for N-[4-[benzyl(methyl)amino]butyl]-4-chlorobenzamide?
The canonical SMILES for N-[4-[benzyl(methyl)amino]butyl]-4-chlorobenzamide is CN(CCCCNC(=O)c1ccc(Cl)cc1)Cc1ccccc1.
What is the InChIKey of N-[4-[benzyl(methyl)amino]butyl]-4-chlorobenzamide?
The InChIKey is YUDTTWNDIWVWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O/c1-22(15-16-7-3-2-4-8-16)14-6-5-13-21-19(23)17-9-11-18(20)12-10-17/h2-4,7-12H,5-6,13-15H2,1H3,(H,21,23).
What are the key properties of N-[4-[benzyl(methyl)amino]butyl]-4-chlorobenzamide?
N-[4-[benzyl(methyl)amino]butyl]-4-chlorobenzamide has a molecular weight of 330.86 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[benzyl(methyl)amino]butyl]-4-chlorobenzamide is sourced from PubChem (CID 118607455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).