3,4-dichloro-N-[(3S)-3-ethoxy-4-hydroxybutyl]benzamide

C13H17Cl2NO3 — CID 70798999

IUPAC3,4-dichloro-N-[(3S)-3-ethoxy-4-hydroxybutyl]benzamide
SMILESCCO[C@H](CO)CCNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO3/c1-2-19-10(8-17)5-6-16-13(18)9-3-4-11(14)12(15)7-9/h3-4,7,10,17H,2,5-6,8H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyCYUJGMIALFSWLN-JTQLQIEISA-N
MW306.19 g/mol
LogP2.51
Rot. Bonds7

About 3,4-dichloro-N-[(3S)-3-ethoxy-4-hydroxybutyl]benzamide

3,4-dichloro-N-[(3S)-3-ethoxy-4-hydroxybutyl]benzamide (PubChem CID 70798999) has the molecular formula C13H17Cl2NO3 and a molecular weight of 306.19 g/mol. Its IUPAC name is 3,4-dichloro-N-[(3S)-3-ethoxy-4-hydroxybutyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[(3S)-3-ethoxy-4-hydroxybutyl]benzamide
PubChem CID70798999
Molecular FormulaC13H17Cl2NO3
Molecular Weight306.19 g/mol
Exact Mass305.06
IUPAC Name3,4-dichloro-N-[(3S)-3-ethoxy-4-hydroxybutyl]benzamide
SMILESCCO[C@H](CO)CCNC(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H17Cl2NO3/c1-2-19-10(8-17)5-6-16-13(18)9-3-4-11(14)12(15)7-9/h3-4,7,10,17H,2,5-6,8H2,1H3,(H,16,18)/t10-/m0/s1
InChIKeyCYUJGMIALFSWLN-JTQLQIEISA-N
XLogP2.51
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.19
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 110418217
3,4-dichloro-N-[3-[(3,4-dichlorobenzoyl)amino]pentyl]benzamide
CID 4842606
N-(4-acetamidobutyl)-3,4-dichlorobenzamide
CID 110358538
3,4-dichloro-N-[2-(ethylsulfonylamino)ethyl]benzamide
CID 38426855
3,4-dichloro-N-[3-(propan-2-ylamino)propyl]benzamide
CID 142594884
3,4-dichloro-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429508
ethyl 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 5039478
1-(3,4-dichlorophenyl)-2,2-diethoxyethanone
CID 79495539
3,4-dichloro-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 27556673
3,4-dichloro-N-[3-(4-ethylpiperazin-1-yl)propyl]benzamide
CID 110444148
[4-[2-[(3,4-dichlorobenzoyl)amino]ethylcarbamoyl]phenyl] ethyl carbonate
CID 108537528
3,4-dichloro-N-(5-chloropentyl)benzamide
CID 107320915

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[(3S)-3-ethoxy-4-hydroxybutyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[(3S)-3-ethoxy-4-hydroxybutyl]benzamide (CID 70798999) is 3,4-dichloro-N-[(3S)-3-ethoxy-4-hydroxybutyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[(3S)-3-ethoxy-4-hydroxybutyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[(3S)-3-ethoxy-4-hydroxybutyl]benzamide is CCO[C@H](CO)CCNC(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[(3S)-3-ethoxy-4-hydroxybutyl]benzamide?
The InChIKey is CYUJGMIALFSWLN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17Cl2NO3/c1-2-19-10(8-17)5-6-16-13(18)9-3-4-11(14)12(15)7-9/h3-4,7,10,17H,2,5-6,8H2,1H3,(H,16,18)/t10-/m0/s1.
What are the key properties of 3,4-dichloro-N-[(3S)-3-ethoxy-4-hydroxybutyl]benzamide?
3,4-dichloro-N-[(3S)-3-ethoxy-4-hydroxybutyl]benzamide has a molecular weight of 306.19 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[(3S)-3-ethoxy-4-hydroxybutyl]benzamide is sourced from PubChem (CID 70798999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).