2,4-dichloro-N-[2-[2-ethylbutyl(methyl)amino]-1-phenylpropyl]benzamide

C23H30Cl2N2O — CID 70272697

IUPAC2,4-dichloro-N-[2-[2-ethylbutyl(methyl)amino]-1-phenylpropyl]benzamide
SMILESCCC(CC)CN(C)C(C)C(NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C23H30Cl2N2O/c1-5-17(6-2)15-27(4)16(3)22(18-10-8-7-9-11-18)26-23(28)20-13-12-19(24)14-21(20)25/h7-14,16-17,22H,5-6,15H2,1-4H3,(H,26,28)
InChIKeyHAZQCEWDZVUSAK-UHFFFAOYSA-N
MW421.41 g/mol
LogP6.22
Rot. Bonds9

About 2,4-dichloro-N-[2-[2-ethylbutyl(methyl)amino]-1-phenylpropyl]benzamide

2,4-dichloro-N-[2-[2-ethylbutyl(methyl)amino]-1-phenylpropyl]benzamide (PubChem CID 70272697) has the molecular formula C23H30Cl2N2O and a molecular weight of 421.41 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[2-ethylbutyl(methyl)amino]-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[2-ethylbutyl(methyl)amino]-1-phenylpropyl]benzamide
PubChem CID70272697
Molecular FormulaC23H30Cl2N2O
Molecular Weight421.41 g/mol
Exact Mass420.17
IUPAC Name2,4-dichloro-N-[2-[2-ethylbutyl(methyl)amino]-1-phenylpropyl]benzamide
SMILESCCC(CC)CN(C)C(C)C(NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1
InChIInChI=1S/C23H30Cl2N2O/c1-5-17(6-2)15-27(4)16(3)22(18-10-8-7-9-11-18)26-23(28)20-13-12-19(24)14-21(20)25/h7-14,16-17,22H,5-6,15H2,1-4H3,(H,26,28)
InChIKeyHAZQCEWDZVUSAK-UHFFFAOYSA-N
XLogP6.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.41
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ssr-504734
CID 9954540
N-butyl-2-chlorobenzamide
CID 347041
2-Chloro-N-phenethyl-benzamide
CID 692233
Benzamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-4-chloro-, hydrochloride (1:1)
CID 11243536
Jnj-63533054
CID 2548547
N-benzyl-4-chlorobenzamide
CID 346668
2,3-Dichloro-N-[2-(4,4-difluoro-piperidin-1-yl)-2-(4-fluoro-phenyl)-ethyl]-benzamide
CID 73442861
N-(1-benzyl-4-piperidinyl)-2,4-dichlorobenzamide
CID 1069892
N-[(4-chlorophenyl)methyl]-4-ethylbenzamide
CID 2097068
1-(2-Chloro-benzoyl)-piperazine
CID 2060585
4-Chloro-N-phenethylbenzamide
CID 306479
N-Benzyl-2-chloro-benzamide
CID 347073

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[2-ethylbutyl(methyl)amino]-1-phenylpropyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[2-ethylbutyl(methyl)amino]-1-phenylpropyl]benzamide (CID 70272697) is 2,4-dichloro-N-[2-[2-ethylbutyl(methyl)amino]-1-phenylpropyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[2-ethylbutyl(methyl)amino]-1-phenylpropyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[2-ethylbutyl(methyl)amino]-1-phenylpropyl]benzamide is CCC(CC)CN(C)C(C)C(NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1.
What is the InChIKey of 2,4-dichloro-N-[2-[2-ethylbutyl(methyl)amino]-1-phenylpropyl]benzamide?
The InChIKey is HAZQCEWDZVUSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30Cl2N2O/c1-5-17(6-2)15-27(4)16(3)22(18-10-8-7-9-11-18)26-23(28)20-13-12-19(24)14-21(20)25/h7-14,16-17,22H,5-6,15H2,1-4H3,(H,26,28).
What are the key properties of 2,4-dichloro-N-[2-[2-ethylbutyl(methyl)amino]-1-phenylpropyl]benzamide?
2,4-dichloro-N-[2-[2-ethylbutyl(methyl)amino]-1-phenylpropyl]benzamide has a molecular weight of 421.41 g/mol, XLogP of 6.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[2-ethylbutyl(methyl)amino]-1-phenylpropyl]benzamide is sourced from PubChem (CID 70272697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).