3,4-dichloro-N-[4-[(5-methyl-6-propyloxan-3-yl)methyl]phenyl]benzamide

C23H27Cl2NO2 — CID 91330613

IUPAC3,4-dichloro-N-[4-[(5-methyl-6-propyloxan-3-yl)methyl]phenyl]benzamide
SMILESCCCC1OCC(Cc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1C
InChIInChI=1S/C23H27Cl2NO2/c1-3-4-22-15(2)11-17(14-28-22)12-16-5-8-19(9-6-16)26-23(27)18-7-10-20(24)21(25)13-18/h5-10,13,15,17,22H,3-4,11-12,14H2,1-2H3,(H,26,27)
InChIKeyWYDUKJVQAAULFP-UHFFFAOYSA-N
MW420.38 g/mol
LogP6.63
Rot. Bonds6

About 3,4-dichloro-N-[4-[(5-methyl-6-propyloxan-3-yl)methyl]phenyl]benzamide

3,4-dichloro-N-[4-[(5-methyl-6-propyloxan-3-yl)methyl]phenyl]benzamide (PubChem CID 91330613) has the molecular formula C23H27Cl2NO2 and a molecular weight of 420.38 g/mol. Its IUPAC name is 3,4-dichloro-N-[4-[(5-methyl-6-propyloxan-3-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[4-[(5-methyl-6-propyloxan-3-yl)methyl]phenyl]benzamide
PubChem CID91330613
Molecular FormulaC23H27Cl2NO2
Molecular Weight420.38 g/mol
Exact Mass419.14
IUPAC Name3,4-dichloro-N-[4-[(5-methyl-6-propyloxan-3-yl)methyl]phenyl]benzamide
SMILESCCCC1OCC(Cc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1C
InChIInChI=1S/C23H27Cl2NO2/c1-3-4-22-15(2)11-17(14-28-22)12-16-5-8-19(9-6-16)26-23(27)18-7-10-20(24)21(25)13-18/h5-10,13,15,17,22H,3-4,11-12,14H2,1-2H3,(H,26,27)
InChIKeyWYDUKJVQAAULFP-UHFFFAOYSA-N
XLogP6.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.38
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-[4-[(5,6-dimethylthian-3-yl)methyl]phenyl]benzamide
CID 91546809
3-chloro-N-[4-[(5,6-dimethyloxan-3-yl)methyl]phenyl]benzamide
CID 91585466
3-bromo-N-[4-[(5,6-dimethyloxan-3-yl)methyl]phenyl]benzamide
CID 91234174
3,4-dichloro-N-[4-(methylaminomethyl)phenyl]benzamide
CID 71019742
N-[4-(tert-butylamino)phenyl]-3,4-dichlorobenzamide
CID 112984878
3,4-dichloro-N-[4-[(1-methylpyrrolidin-1-ium-1-yl)methyl]phenyl]benzamide chloride
CID 25269154
3,4-dichloro-N-[4-(cyanomethyl)phenyl]benzamide
CID 674696
4-butyl-N-(3,4-dichlorophenyl)benzamide
CID 3618565
3-amino-4-chloro-N-(4-propylphenyl)benzamide
CID 43378583
2-bicyclo[2.2.1]heptanyl-[[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl]-dimethylazanium
CID 11633080
[4-[(3,4-dichlorobenzoyl)amino]phenyl]methyl-methylidene-[[(2S)-oxolan-2-yl]methyl]azanium
CID 118928864
N-[4-[(4-bromobenzoyl)amino]phenyl]-3,4-dichlorobenzamide
CID 21211970

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[4-[(5-methyl-6-propyloxan-3-yl)methyl]phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[4-[(5-methyl-6-propyloxan-3-yl)methyl]phenyl]benzamide (CID 91330613) is 3,4-dichloro-N-[4-[(5-methyl-6-propyloxan-3-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[4-[(5-methyl-6-propyloxan-3-yl)methyl]phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[4-[(5-methyl-6-propyloxan-3-yl)methyl]phenyl]benzamide is CCCC1OCC(Cc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)CC1C.
What is the InChIKey of 3,4-dichloro-N-[4-[(5-methyl-6-propyloxan-3-yl)methyl]phenyl]benzamide?
The InChIKey is WYDUKJVQAAULFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27Cl2NO2/c1-3-4-22-15(2)11-17(14-28-22)12-16-5-8-19(9-6-16)26-23(27)18-7-10-20(24)21(25)13-18/h5-10,13,15,17,22H,3-4,11-12,14H2,1-2H3,(H,26,27).
What are the key properties of 3,4-dichloro-N-[4-[(5-methyl-6-propyloxan-3-yl)methyl]phenyl]benzamide?
3,4-dichloro-N-[4-[(5-methyl-6-propyloxan-3-yl)methyl]phenyl]benzamide has a molecular weight of 420.38 g/mol, XLogP of 6.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[4-[(5-methyl-6-propyloxan-3-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 91330613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).