2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide

C19H21Cl2NO3 — CID 112791671

IUPAC2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide
SMILESCCOc1ccc(C(C)NC(=O)c2c(Cl)cccc2Cl)cc1OCC
InChIInChI=1S/C19H21Cl2NO3/c1-4-24-16-10-9-13(11-17(16)25-5-2)12(3)22-19(23)18-14(20)7-6-8-15(18)21/h6-12H,4-5H2,1-3H3,(H,22,23)
InChIKeyIFTNRCWEIVHCEN-UHFFFAOYSA-N
MW382.29 g/mol
LogP5.28
Rot. Bonds7

About 2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide

2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide (PubChem CID 112791671) has the molecular formula C19H21Cl2NO3 and a molecular weight of 382.29 g/mol. Its IUPAC name is 2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide
PubChem CID112791671
Molecular FormulaC19H21Cl2NO3
Molecular Weight382.29 g/mol
Exact Mass381.09
IUPAC Name2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide
SMILESCCOc1ccc(C(C)NC(=O)c2c(Cl)cccc2Cl)cc1OCC
InChIInChI=1S/C19H21Cl2NO3/c1-4-24-16-10-9-13(11-17(16)25-5-2)12(3)22-19(23)18-14(20)7-6-8-15(18)21/h6-12H,4-5H2,1-3H3,(H,22,23)
InChIKeyIFTNRCWEIVHCEN-UHFFFAOYSA-N
XLogP5.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.29
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 9418965
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699
2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9418929
2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methylbenzamide
CID 100521380
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-iodobenzamide
CID 27136904
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-2-(trifluoromethyl)benzamide
CID 2573137
(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 38016906
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
CID 7936483
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,4-diethoxybenzamide
CID 8751607
4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 2450618
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 7936459

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide (CID 112791671) is 2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide is CCOc1ccc(C(C)NC(=O)c2c(Cl)cccc2Cl)cc1OCC.
What is the InChIKey of 2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide?
The InChIKey is IFTNRCWEIVHCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO3/c1-4-24-16-10-9-13(11-17(16)25-5-2)12(3)22-19(23)18-14(20)7-6-8-15(18)21/h6-12H,4-5H2,1-3H3,(H,22,23).
What are the key properties of 2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide?
2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide has a molecular weight of 382.29 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 112791671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).