N-[3-[benzyl(methyl)amino]propyl]-3,5-dichlorobenzamide

C18H20Cl2N2O — CID 118607347

IUPACN-[3-[benzyl(methyl)amino]propyl]-3,5-dichlorobenzamide
SMILESCN(CCCNC(=O)c1cc(Cl)cc(Cl)c1)Cc1ccccc1
InChIInChI=1S/C18H20Cl2N2O/c1-22(13-14-6-3-2-4-7-14)9-5-8-21-18(23)15-10-16(19)12-17(20)11-15/h2-4,6-7,10-12H,5,8-9,13H2,1H3,(H,21,23)
InChIKeyKXRBNMSGFUSFLX-UHFFFAOYSA-N
MW351.28 g/mol
LogP4.25
Rot. Bonds7

About N-[3-[benzyl(methyl)amino]propyl]-3,5-dichlorobenzamide

N-[3-[benzyl(methyl)amino]propyl]-3,5-dichlorobenzamide (PubChem CID 118607347) has the molecular formula C18H20Cl2N2O and a molecular weight of 351.28 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]propyl]-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]propyl]-3,5-dichlorobenzamide
PubChem CID118607347
Molecular FormulaC18H20Cl2N2O
Molecular Weight351.28 g/mol
Exact Mass350.10
IUPAC NameN-[3-[benzyl(methyl)amino]propyl]-3,5-dichlorobenzamide
SMILESCN(CCCNC(=O)c1cc(Cl)cc(Cl)c1)Cc1ccccc1
InChIInChI=1S/C18H20Cl2N2O/c1-22(13-14-6-3-2-4-7-14)9-5-8-21-18(23)15-10-16(19)12-17(20)11-15/h2-4,6-7,10-12H,5,8-9,13H2,1H3,(H,21,23)
InChIKeyKXRBNMSGFUSFLX-UHFFFAOYSA-N
XLogP4.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 54.25
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

N-butyl-2-chlorobenzamide
CID 347041
2-Chloro-N-phenethyl-benzamide
CID 692233
ChiRYun
CID 389617
Jnj-63533054
CID 2548547
3,5-dichloro-N-[[(1R,5S)-3-(3,3-dimethylbutyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]benzamide
CID 45115620
4-Chloro-N-phenethylbenzamide
CID 306479
N-benzyl-4-chlorobenzamide
CID 346668
N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide
CID 1069892
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
N-[3-(benzoylamino)propyl]benzamide
CID 255782
1-Benzyl-4-(3-chlorobenzoyl)piperazine
CID 720140
1-(3-Chlorobenzoyl)piperazine
CID 1074765

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-3,5-dichlorobenzamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]propyl]-3,5-dichlorobenzamide (CID 118607347) is N-[3-[benzyl(methyl)amino]propyl]-3,5-dichlorobenzamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]propyl]-3,5-dichlorobenzamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]propyl]-3,5-dichlorobenzamide is CN(CCCNC(=O)c1cc(Cl)cc(Cl)c1)Cc1ccccc1.
What is the InChIKey of N-[3-[benzyl(methyl)amino]propyl]-3,5-dichlorobenzamide?
The InChIKey is KXRBNMSGFUSFLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O/c1-22(13-14-6-3-2-4-7-14)9-5-8-21-18(23)15-10-16(19)12-17(20)11-15/h2-4,6-7,10-12H,5,8-9,13H2,1H3,(H,21,23).
What are the key properties of N-[3-[benzyl(methyl)amino]propyl]-3,5-dichlorobenzamide?
N-[3-[benzyl(methyl)amino]propyl]-3,5-dichlorobenzamide has a molecular weight of 351.28 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]propyl]-3,5-dichlorobenzamide is sourced from PubChem (CID 118607347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).