2-chloro-N-[(1R)-1-(2-chloro-4,5-diethoxyphenyl)ethyl]benzamide

C19H21Cl2NO3 — CID 1008423

IUPAC2-chloro-N-[(1R)-1-(2-chloro-4,5-diethoxyphenyl)ethyl]benzamide
SMILESCCOc1cc(Cl)c([C@@H](C)NC(=O)c2ccccc2Cl)cc1OCC
InChIInChI=1S/C19H21Cl2NO3/c1-4-24-17-10-14(16(21)11-18(17)25-5-2)12(3)22-19(23)13-8-6-7-9-15(13)20/h6-12H,4-5H2,1-3H3,(H,22,23)/t12-/m1/s1
InChIKeyLWCRHOMGNZFFSK-GFCCVEGCSA-N
MW382.29 g/mol
LogP5.28
Rot. Bonds7

About 2-chloro-N-[(1R)-1-(2-chloro-4,5-diethoxyphenyl)ethyl]benzamide

2-chloro-N-[(1R)-1-(2-chloro-4,5-diethoxyphenyl)ethyl]benzamide (PubChem CID 1008423) has the molecular formula C19H21Cl2NO3 and a molecular weight of 382.29 g/mol. Its IUPAC name is 2-chloro-N-[(1R)-1-(2-chloro-4,5-diethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(1R)-1-(2-chloro-4,5-diethoxyphenyl)ethyl]benzamide
PubChem CID1008423
Molecular FormulaC19H21Cl2NO3
Molecular Weight382.29 g/mol
Exact Mass381.09
IUPAC Name2-chloro-N-[(1R)-1-(2-chloro-4,5-diethoxyphenyl)ethyl]benzamide
SMILESCCOc1cc(Cl)c([C@@H](C)NC(=O)c2ccccc2Cl)cc1OCC
InChIInChI=1S/C19H21Cl2NO3/c1-4-24-17-10-14(16(21)11-18(17)25-5-2)12(3)22-19(23)13-8-6-7-9-15(13)20/h6-12H,4-5H2,1-3H3,(H,22,23)/t12-/m1/s1
InChIKeyLWCRHOMGNZFFSK-GFCCVEGCSA-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

2-chloro-N-[2-[[(1R)-1-(3,4-diethoxyphenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9418929
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 112791671
N-[1-(2-bromophenyl)ethyl]-2-chlorobenzamide
CID 42998565
2-chloro-N-[1-[1-(4-ethoxy-3-methoxyphenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 46448294
2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methylbenzamide
CID 100521380
N'-(2-chlorobenzoyl)-3,4,5-triethoxybenzohydrazide
CID 7964784
3-(2-chloro-4,5-diethoxyphenyl)butanoic acid
CID 83959381
ethyl 2-[4-[1-[(2-chlorobenzoyl)amino]ethyl]-2-methoxyphenoxy]acetate
CID 42959968
2-chloro-N-[(1S)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751519
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]benzamide
CID 8751520
N-[(1R)-1-(2-chlorophenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 26907645

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1R)-1-(2-chloro-4,5-diethoxyphenyl)ethyl]benzamide?
The IUPAC name of 2-chloro-N-[(1R)-1-(2-chloro-4,5-diethoxyphenyl)ethyl]benzamide (CID 1008423) is 2-chloro-N-[(1R)-1-(2-chloro-4,5-diethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(1R)-1-(2-chloro-4,5-diethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[(1R)-1-(2-chloro-4,5-diethoxyphenyl)ethyl]benzamide is CCOc1cc(Cl)c([C@@H](C)NC(=O)c2ccccc2Cl)cc1OCC.
What is the InChIKey of 2-chloro-N-[(1R)-1-(2-chloro-4,5-diethoxyphenyl)ethyl]benzamide?
The InChIKey is LWCRHOMGNZFFSK-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21Cl2NO3/c1-4-24-17-10-14(16(21)11-18(17)25-5-2)12(3)22-19(23)13-8-6-7-9-15(13)20/h6-12H,4-5H2,1-3H3,(H,22,23)/t12-/m1/s1.
What are the key properties of 2-chloro-N-[(1R)-1-(2-chloro-4,5-diethoxyphenyl)ethyl]benzamide?
2-chloro-N-[(1R)-1-(2-chloro-4,5-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-chloro-N-[(1R)-1-(2-chloro-4,5-diethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 1008423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).