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

C19H21ClN2O2 — CID 27665840

IUPACN-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide
SMILESCN(Cc1ccccc1)C(=O)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-22(14-15-6-3-2-4-7-15)18(23)8-5-13-21-19(24)16-9-11-17(20)12-10-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,21,24)
InChIKeyMDZLEXBMVRYZKH-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.51
Rot. Bonds7

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

N-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide (PubChem CID 27665840) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide
PubChem CID27665840
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide
SMILESCN(Cc1ccccc1)C(=O)CCCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-22(14-15-6-3-2-4-7-15)18(23)8-5-13-21-19(24)16-9-11-17(20)12-10-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,21,24)
InChIKeyMDZLEXBMVRYZKH-UHFFFAOYSA-N
XLogP3.51
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[4-[methyl(naphthalen-2-ylmethyl)amino]-4-oxobutyl]benzamide
CID 27848251
N-[4-[(4-tert-butylphenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 39757925
N-[4-[(4-fluorophenyl)methyl-methylamino]-4-oxobutyl]benzamide
CID 51181138
N-[4-[benzyl(cyclopropyl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 38252259
4-chloro-N-[4-[methyl(2-methylpropyl)amino]-4-oxobutyl]benzamide
CID 134058645
4-chloro-N-[4-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-4-oxobutyl]benzamide
CID 24682481
N-[4-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-4-oxobutyl]benzamide
CID 39758265
N-benzyl-N-methyl-4-(methylamino)butanamide
CID 60842037
4-chloro-N-[4-[2-cyanoethyl(methyl)amino]-4-oxobutyl]benzamide
CID 78796616
4-chloro-N-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzamide
CID 9369047
N-[4-[methyl-[(3-nitrophenyl)methyl]amino]-4-oxobutyl]benzamide
CID 46404872
4-chloro-N-(4-phenylbutyl)benzamide
CID 2057490

Frequently Asked Questions

What is the IUPAC name of N-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide?
The IUPAC name of N-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide (CID 27665840) is N-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide.
What is the SMILES notation for N-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide?
The canonical SMILES for N-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide is CN(Cc1ccccc1)C(=O)CCCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide?
The InChIKey is MDZLEXBMVRYZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-22(14-15-6-3-2-4-7-15)18(23)8-5-13-21-19(24)16-9-11-17(20)12-10-16/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,21,24).
What are the key properties of N-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide?
N-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide has a molecular weight of 344.84 g/mol, XLogP of 3.51, 7 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]-4-oxobutyl]-4-chlorobenzamide is sourced from PubChem (CID 27665840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).