N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-chlorobenzamide

C16H24ClN3O2 — CID 113053783

IUPACN-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-chlorobenzamide
SMILESCC(=O)N(CCCN(C)C)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C16H24ClN3O2/c1-13(21)20(11-6-10-19(2)3)12-9-18-16(22)14-7-4-5-8-15(14)17/h4-5,7-8H,6,9-12H2,1-3H3,(H,18,22)
InChIKeyTVCKMQFNUGEMRI-UHFFFAOYSA-N
MW325.84 g/mol
LogP1.87
Rot. Bonds8

About N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-chlorobenzamide

N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-chlorobenzamide (PubChem CID 113053783) has the molecular formula C16H24ClN3O2 and a molecular weight of 325.84 g/mol. Its IUPAC name is N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-chlorobenzamide
PubChem CID113053783
Molecular FormulaC16H24ClN3O2
Molecular Weight325.84 g/mol
Exact Mass325.16
IUPAC NameN-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-chlorobenzamide
SMILESCC(=O)N(CCCN(C)C)CCNC(=O)c1ccccc1Cl
InChIInChI=1S/C16H24ClN3O2/c1-13(21)20(11-6-10-19(2)3)12-9-18-16(22)14-7-4-5-8-15(14)17/h4-5,7-8H,6,9-12H2,1-3H3,(H,18,22)
InChIKeyTVCKMQFNUGEMRI-UHFFFAOYSA-N
XLogP1.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-chlorobenzamide
CID 113053554
N-[2-[acetyl-[2-(2-methoxyphenyl)ethyl]amino]ethyl]-2-chlorobenzamide
CID 113055841
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2-methoxybenzamide
CID 113053530
N-[2-[(2-chlorophenyl)sulfonylamino]ethyl]-N-[3-(dimethylamino)propyl]acetamide
CID 113053852
N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2,2-diphenylacetamide
CID 113053769
N-[2-[acetyl(2-morpholin-4-ylethyl)amino]ethyl]-2-chlorobenzamide
CID 113053679
N-[2-[acetyl-[2-(cyclohexen-1-yl)ethyl]amino]ethyl]-2-chlorobenzamide
CID 113053069
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-chlorobenzamide
CID 113054251
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide
CID 113059321
N-[2-[acetyl-[2-(dimethylamino)ethyl]amino]ethyl]-2,6-dimethoxybenzamide
CID 113053535
N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-chlorobenzamide
CID 113063620
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide
CID 113059832

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-chlorobenzamide?
The IUPAC name of N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-chlorobenzamide (CID 113053783) is N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-chlorobenzamide is CC(=O)N(CCCN(C)C)CCNC(=O)c1ccccc1Cl.
What is the InChIKey of N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-chlorobenzamide?
The InChIKey is TVCKMQFNUGEMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O2/c1-13(21)20(11-6-10-19(2)3)12-9-18-16(22)14-7-4-5-8-15(14)17/h4-5,7-8H,6,9-12H2,1-3H3,(H,18,22).
What are the key properties of N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-chlorobenzamide?
N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-chlorobenzamide has a molecular weight of 325.84 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[3-(dimethylamino)propyl]amino]ethyl]-2-chlorobenzamide is sourced from PubChem (CID 113053783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).