3-chloro-N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-5-methoxybenzamide

C18H19Cl2NO3 — CID 43010464

IUPAC3-chloro-N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)NC(C)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C18H19Cl2NO3/c1-4-24-17-15(20)9-13(10-16(17)23-3)18(22)21-11(2)12-6-5-7-14(19)8-12/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyQQMGICARHJRKFF-UHFFFAOYSA-N
MW368.26 g/mol
LogP4.89
Rot. Bonds6

About 3-chloro-N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-5-methoxybenzamide

3-chloro-N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-5-methoxybenzamide (PubChem CID 43010464) has the molecular formula C18H19Cl2NO3 and a molecular weight of 368.26 g/mol. Its IUPAC name is 3-chloro-N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-5-methoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-5-methoxybenzamide
PubChem CID43010464
Molecular FormulaC18H19Cl2NO3
Molecular Weight368.26 g/mol
Exact Mass367.07
IUPAC Name3-chloro-N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-5-methoxybenzamide
SMILESCCOc1c(Cl)cc(C(=O)NC(C)c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C18H19Cl2NO3/c1-4-24-17-15(20)9-13(10-16(17)23-3)18(22)21-11(2)12-6-5-7-14(19)8-12/h5-11H,4H2,1-3H3,(H,21,22)
InChIKeyQQMGICARHJRKFF-UHFFFAOYSA-N
XLogP4.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.26
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3-chlorophenyl)ethyl]-3,4,5-triethoxybenzamide
CID 7944603
3-chloro-4-ethoxy-5-methoxy-N-[1-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 55709358
N-[1-(3-bromophenyl)ethyl]-3-chloro-4,5-dimethoxybenzamide
CID 43059210
3-chloro-4-ethoxy-5-methoxy-N-(1-pyridin-2-ylethyl)benzamide
CID 43007006
4-(2-amino-2-oxoethoxy)-3-chloro-N-[1-(3-chlorophenyl)propyl]-5-methoxybenzamide
CID 55582198
3-chloro-4-ethoxy-5-methoxy-N-[phenyl(pyridin-4-yl)methyl]benzamide
CID 86978352
3,5-dichloro-4-methoxy-N-[(1R)-1-phenylethyl]benzamide
CID 9033034
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 17442232
N-tert-butyl-3-chloro-4-ethoxy-5-methoxybenzamide
CID 51149799
3-chloro-4-ethoxy-N-ethyl-5-methoxybenzamide
CID 4019804
N-[1-(3-bromophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46599431
3-chloro-4-ethoxy-5-methoxy-N-[3-(methylcarbamoyl)phenyl]benzamide
CID 17470046

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-5-methoxybenzamide?
The IUPAC name of 3-chloro-N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-5-methoxybenzamide (CID 43010464) is 3-chloro-N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-5-methoxybenzamide.
What is the SMILES notation for 3-chloro-N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-5-methoxybenzamide?
The canonical SMILES for 3-chloro-N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-5-methoxybenzamide is CCOc1c(Cl)cc(C(=O)NC(C)c2cccc(Cl)c2)cc1OC.
What is the InChIKey of 3-chloro-N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-5-methoxybenzamide?
The InChIKey is QQMGICARHJRKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO3/c1-4-24-17-15(20)9-13(10-16(17)23-3)18(22)21-11(2)12-6-5-7-14(19)8-12/h5-11H,4H2,1-3H3,(H,21,22).
What are the key properties of 3-chloro-N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-5-methoxybenzamide?
3-chloro-N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-5-methoxybenzamide has a molecular weight of 368.26 g/mol, XLogP of 4.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(3-chlorophenyl)ethyl]-4-ethoxy-5-methoxybenzamide is sourced from PubChem (CID 43010464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).