3-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-5-methoxy-4-propoxybenzamide

C19H19Cl2NO4 — CID 112807261

IUPAC3-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCC(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C19H19Cl2NO4/c1-3-8-26-18-15(21)9-13(10-17(18)25-2)19(24)22-11-16(23)12-4-6-14(20)7-5-12/h4-7,9-10H,3,8,11H2,1-2H3,(H,22,24)
InChIKeyVTALHLNQISQOJL-UHFFFAOYSA-N
MW396.27 g/mol
LogP4.40
Rot. Bonds8

About 3-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-5-methoxy-4-propoxybenzamide

3-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-5-methoxy-4-propoxybenzamide (PubChem CID 112807261) has the molecular formula C19H19Cl2NO4 and a molecular weight of 396.27 g/mol. Its IUPAC name is 3-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-5-methoxy-4-propoxybenzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-5-methoxy-4-propoxybenzamide
PubChem CID112807261
Molecular FormulaC19H19Cl2NO4
Molecular Weight396.27 g/mol
Exact Mass395.07
IUPAC Name3-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-5-methoxy-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)NCC(=O)c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C19H19Cl2NO4/c1-3-8-26-18-15(21)9-13(10-17(18)25-2)19(24)22-11-16(23)12-4-6-14(20)7-5-12/h4-7,9-10H,3,8,11H2,1-2H3,(H,22,24)
InChIKeyVTALHLNQISQOJL-UHFFFAOYSA-N
XLogP4.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-5-methoxy-4-propoxy-N-propylbenzamide
CID 7333465
3-chloro-5-methoxy-N-(2-oxo-2-pyrrolidin-1-ylethyl)-4-propoxybenzamide
CID 46532855
3-chloro-N-(2-hydroxypropyl)-5-methoxy-4-propoxybenzamide
CID 78856166
3-chloro-5-methoxy-N-[(2-methoxyphenyl)methyl]-4-propoxybenzamide
CID 26775880
N-(2-amino-2-ethylbutyl)-3-chloro-5-methoxy-4-propoxybenzamide
CID 119642923
3-chloro-N-(4-chloro-2-methylphenyl)-5-methoxy-4-propoxybenzamide
CID 26114663
3-chloro-N'-(2-chlorobenzoyl)-5-methoxy-4-propoxybenzohydrazide
CID 35930780
N-(3-aminobutyl)-3-chloro-5-methoxy-4-propoxybenzamide;hydrochloride
CID 119498520
3-chloro-5-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]-4-propoxybenzamide
CID 51305983
N-[(3-carbamoylphenyl)methyl]-3-chloro-5-methoxy-4-propoxybenzamide
CID 33094742
3-chloro-5-methoxy-N-[2-(3-methylphenoxy)ethyl]-4-propoxybenzamide
CID 31326626
3-chloro-N-(3,5-dimethoxyphenyl)-5-methoxy-4-propoxybenzamide
CID 9096742

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-5-methoxy-4-propoxybenzamide?
The IUPAC name of 3-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-5-methoxy-4-propoxybenzamide (CID 112807261) is 3-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-5-methoxy-4-propoxybenzamide.
What is the SMILES notation for 3-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-5-methoxy-4-propoxybenzamide?
The canonical SMILES for 3-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-5-methoxy-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)NCC(=O)c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of 3-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-5-methoxy-4-propoxybenzamide?
The InChIKey is VTALHLNQISQOJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2NO4/c1-3-8-26-18-15(21)9-13(10-17(18)25-2)19(24)22-11-16(23)12-4-6-14(20)7-5-12/h4-7,9-10H,3,8,11H2,1-2H3,(H,22,24).
What are the key properties of 3-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-5-methoxy-4-propoxybenzamide?
3-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-5-methoxy-4-propoxybenzamide has a molecular weight of 396.27 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(4-chlorophenyl)-2-oxoethyl]-5-methoxy-4-propoxybenzamide is sourced from PubChem (CID 112807261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).