3-chloro-N-(2-chloro-6-methylphenyl)-5-methoxy-4-propoxybenzamide

C18H19Cl2NO3 — CID 124506712

IUPAC3-chloro-N-(2-chloro-6-methylphenyl)-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2c(C)cccc2Cl)cc1OC
InChIInChI=1S/C18H19Cl2NO3/c1-4-8-24-17-14(20)9-12(10-15(17)23-3)18(22)21-16-11(2)6-5-7-13(16)19/h5-7,9-10H,4,8H2,1-3H3,(H,21,22)
InChIKeyDCMCJHPROXHUCH-UHFFFAOYSA-N
MW368.26 g/mol
LogP5.35
Rot. Bonds6

About 3-chloro-N-(2-chloro-6-methylphenyl)-5-methoxy-4-propoxybenzamide

3-chloro-N-(2-chloro-6-methylphenyl)-5-methoxy-4-propoxybenzamide (PubChem CID 124506712) has the molecular formula C18H19Cl2NO3 and a molecular weight of 368.26 g/mol. Its IUPAC name is 3-chloro-N-(2-chloro-6-methylphenyl)-5-methoxy-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloro-6-methylphenyl)-5-methoxy-4-propoxybenzamide
PubChem CID124506712
Molecular FormulaC18H19Cl2NO3
Molecular Weight368.26 g/mol
Exact Mass367.07
IUPAC Name3-chloro-N-(2-chloro-6-methylphenyl)-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)Nc2c(C)cccc2Cl)cc1OC
InChIInChI=1S/C18H19Cl2NO3/c1-4-8-24-17-14(20)9-12(10-15(17)23-3)18(22)21-16-11(2)6-5-7-13(16)19/h5-7,9-10H,4,8H2,1-3H3,(H,21,22)
InChIKeyDCMCJHPROXHUCH-UHFFFAOYSA-N
XLogP5.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.26
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-butoxy-3-chloro-N-(2,6-dimethylphenyl)-5-methoxybenzamide
CID 18288959
3-chloro-5-methoxy-N-(2-methylphenyl)-4-propoxybenzamide
CID 4288200
3-chloro-5-methoxy-N-(2-methoxy-6-methylsulfonylphenyl)-4-propoxybenzamide
CID 86797117
3-chloro-N-(4-chloro-2-methylphenyl)-5-methoxy-4-propoxybenzamide
CID 26114663
[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-chloro-5-methoxy-4-propoxybenzoate
CID 8853707
N-(5-amino-2-methylphenyl)-3-chloro-5-methoxy-4-propoxybenzamide
CID 120568311
3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide
CID 35930780
3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide
CID 9096742
3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
3-chloro-4-ethoxy-5-methoxy-N-(2-methylphenyl)benzamide
CID 3944702
3-chloro-N-[2,6-di(propan-2-yl)phenyl]-5-ethoxy-4-propoxybenzamide
CID 18224809
3-chloro-5-methoxy-N-[2-(3-methylphenoxy)ethyl]-4-propoxybenzamide
CID 31326626

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloro-6-methylphenyl)-5-methoxy-4-propoxybenzamide?
The IUPAC name of 3-chloro-N-(2-chloro-6-methylphenyl)-5-methoxy-4-propoxybenzamide (CID 124506712) is 3-chloro-N-(2-chloro-6-methylphenyl)-5-methoxy-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-N-(2-chloro-6-methylphenyl)-5-methoxy-4-propoxybenzamide?
The canonical SMILES for 3-chloro-N-(2-chloro-6-methylphenyl)-5-methoxy-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)Nc2c(C)cccc2Cl)cc1OC.
What is the InChIKey of 3-chloro-N-(2-chloro-6-methylphenyl)-5-methoxy-4-propoxybenzamide?
The InChIKey is DCMCJHPROXHUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO3/c1-4-8-24-17-14(20)9-12(10-15(17)23-3)18(22)21-16-11(2)6-5-7-13(16)19/h5-7,9-10H,4,8H2,1-3H3,(H,21,22).
What are the key properties of 3-chloro-N-(2-chloro-6-methylphenyl)-5-methoxy-4-propoxybenzamide?
3-chloro-N-(2-chloro-6-methylphenyl)-5-methoxy-4-propoxybenzamide has a molecular weight of 368.26 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloro-6-methylphenyl)-5-methoxy-4-propoxybenzamide is sourced from PubChem (CID 124506712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).