3-chloro-5-ethoxy-4-hydroxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide

C19H22ClNO4 — CID 112800692

IUPAC3-chloro-5-ethoxy-4-hydroxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
SMILESCCOc1cc(C(=O)N(C)CCOc2ccccc2C)cc(Cl)c1O
InChIInChI=1S/C19H22ClNO4/c1-4-24-17-12-14(11-15(20)18(17)22)19(23)21(3)9-10-25-16-8-6-5-7-13(16)2/h5-8,11-12,22H,4,9-10H2,1-3H3
InChIKeyDQIINQKKMDZCJN-UHFFFAOYSA-N
MW363.84 g/mol
LogP3.90
Rot. Bonds7

About 3-chloro-5-ethoxy-4-hydroxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide

3-chloro-5-ethoxy-4-hydroxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide (PubChem CID 112800692) has the molecular formula C19H22ClNO4 and a molecular weight of 363.84 g/mol. Its IUPAC name is 3-chloro-5-ethoxy-4-hydroxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide.

Molecular Properties

Compound Name3-chloro-5-ethoxy-4-hydroxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
PubChem CID112800692
Molecular FormulaC19H22ClNO4
Molecular Weight363.84 g/mol
Exact Mass363.12
IUPAC Name3-chloro-5-ethoxy-4-hydroxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
SMILESCCOc1cc(C(=O)N(C)CCOc2ccccc2C)cc(Cl)c1O
InChIInChI=1S/C19H22ClNO4/c1-4-24-17-12-14(11-15(20)18(17)22)19(23)21(3)9-10-25-16-8-6-5-7-13(16)2/h5-8,11-12,22H,4,9-10H2,1-3H3
InChIKeyDQIINQKKMDZCJN-UHFFFAOYSA-N
XLogP3.90
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.84
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 60675961
4-chloro-N-methyl-N-[2-(2-methylphenoxy)ethyl]-1H-pyrrole-2-carboxamide
CID 18120198
3-cyano-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 18120132
3-ethoxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]-4-(2-oxo-2-piperidin-1-ylethoxy)benzamide
CID 43033984
N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 26979272
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-5-ethoxy-4-hydroxy-N-methylbenzamide
CID 112798057
N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 86909739
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 54869692
3-chloro-N-[2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-2-oxoethyl]benzamide
CID 31670964
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-oxobutanamide
CID 54876653
4-(acetamidomethyl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 18120176
3-benzamido-N,4-dimethyl-N-[2-(2-methylphenoxy)ethyl]benzamide
CID 46409789

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethoxy-4-hydroxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide?
The IUPAC name of 3-chloro-5-ethoxy-4-hydroxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide (CID 112800692) is 3-chloro-5-ethoxy-4-hydroxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide.
What is the SMILES notation for 3-chloro-5-ethoxy-4-hydroxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide?
The canonical SMILES for 3-chloro-5-ethoxy-4-hydroxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide is CCOc1cc(C(=O)N(C)CCOc2ccccc2C)cc(Cl)c1O.
What is the InChIKey of 3-chloro-5-ethoxy-4-hydroxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide?
The InChIKey is DQIINQKKMDZCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClNO4/c1-4-24-17-12-14(11-15(20)18(17)22)19(23)21(3)9-10-25-16-8-6-5-7-13(16)2/h5-8,11-12,22H,4,9-10H2,1-3H3.
What are the key properties of 3-chloro-5-ethoxy-4-hydroxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide?
3-chloro-5-ethoxy-4-hydroxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide has a molecular weight of 363.84 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethoxy-4-hydroxy-N-methyl-N-[2-(2-methylphenoxy)ethyl]benzamide is sourced from PubChem (CID 112800692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).