3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-5-ethoxy-4-hydroxy-N-methylbenzamide

C18H19Cl2NO4 — CID 112798057

IUPAC3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-5-ethoxy-4-hydroxy-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cc(Cl)ccc2OC)cc(Cl)c1O
InChIInChI=1S/C18H19Cl2NO4/c1-4-25-16-9-11(8-14(20)17(16)22)18(23)21(2)10-12-7-13(19)5-6-15(12)24-3/h5-9,22H,4,10H2,1-3H3
InChIKeyPEILAIMEEYZNLE-UHFFFAOYSA-N
MW384.26 g/mol
LogP4.38
Rot. Bonds6

About 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-5-ethoxy-4-hydroxy-N-methylbenzamide

3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-5-ethoxy-4-hydroxy-N-methylbenzamide (PubChem CID 112798057) has the molecular formula C18H19Cl2NO4 and a molecular weight of 384.26 g/mol. Its IUPAC name is 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-5-ethoxy-4-hydroxy-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-5-ethoxy-4-hydroxy-N-methylbenzamide
PubChem CID112798057
Molecular FormulaC18H19Cl2NO4
Molecular Weight384.26 g/mol
Exact Mass383.07
IUPAC Name3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-5-ethoxy-4-hydroxy-N-methylbenzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cc(Cl)ccc2OC)cc(Cl)c1O
InChIInChI=1S/C18H19Cl2NO4/c1-4-25-16-9-11(8-14(20)17(16)22)18(23)21(2)10-12-7-13(19)5-6-15(12)24-3/h5-9,22H,4,10H2,1-3H3
InChIKeyPEILAIMEEYZNLE-UHFFFAOYSA-N
XLogP4.38
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.26
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-3,4-dimethoxy-N-methylbenzamide
CID 9182620
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3,5-dinitrobenzamide
CID 26726400
3-chloro-N-[(2-chlorophenyl)methyl]-4-ethoxy-5-methoxy-N-methylbenzamide
CID 112790252
5-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55739082
3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
CID 60526368
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 9183059
4-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-3-(methylsulfamoyl)benzamide
CID 9182996
N-[(5-chloro-2-methoxyphenyl)methyl]-3-cyano-N-methylbenzamide
CID 30857850
methyl 6-[(5-chloro-2-methoxyphenyl)methyl-methylcarbamoyl]pyridine-3-carboxylate
CID 32762970
N-[(5-chloro-2-methoxyphenyl)methyl]-4-(4-chlorophenyl)-N-methylbutanamide
CID 55772482
methyl 3-chloro-5-ethoxy-4-hydroxybenzoate
CID 83953268
N-[(5-chloro-2-methoxyphenyl)methyl]-N,2,3-trimethylbenzamide
CID 32760905

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-5-ethoxy-4-hydroxy-N-methylbenzamide?
The IUPAC name of 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-5-ethoxy-4-hydroxy-N-methylbenzamide (CID 112798057) is 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-5-ethoxy-4-hydroxy-N-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-5-ethoxy-4-hydroxy-N-methylbenzamide?
The canonical SMILES for 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-5-ethoxy-4-hydroxy-N-methylbenzamide is CCOc1cc(C(=O)N(C)Cc2cc(Cl)ccc2OC)cc(Cl)c1O.
What is the InChIKey of 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-5-ethoxy-4-hydroxy-N-methylbenzamide?
The InChIKey is PEILAIMEEYZNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2NO4/c1-4-25-16-9-11(8-14(20)17(16)22)18(23)21(2)10-12-7-13(19)5-6-15(12)24-3/h5-9,22H,4,10H2,1-3H3.
What are the key properties of 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-5-ethoxy-4-hydroxy-N-methylbenzamide?
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-5-ethoxy-4-hydroxy-N-methylbenzamide has a molecular weight of 384.26 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-5-ethoxy-4-hydroxy-N-methylbenzamide is sourced from PubChem (CID 112798057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).