3-chloro-4-ethoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide

C19H22ClNO3 — CID 100713523

IUPAC3-chloro-4-ethoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)N[C@H](C)COc2ccc(C)cc2)cc1Cl
InChIInChI=1S/C19H22ClNO3/c1-4-23-18-10-7-15(11-17(18)20)19(22)21-14(3)12-24-16-8-5-13(2)6-9-16/h5-11,14H,4,12H2,1-3H3,(H,21,22)/t14-/m1/s1
InChIKeyRPGWKOCJKMLUFT-CQSZACIVSA-N
MW347.84 g/mol
LogP4.24
Rot. Bonds7

About 3-chloro-4-ethoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide

3-chloro-4-ethoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide (PubChem CID 100713523) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is 3-chloro-4-ethoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4-ethoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
PubChem CID100713523
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name3-chloro-4-ethoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
SMILESCCOc1ccc(C(=O)N[C@H](C)COc2ccc(C)cc2)cc1Cl
InChIInChI=1S/C19H22ClNO3/c1-4-23-18-10-7-15(11-17(18)20)19(22)21-14(3)12-24-16-8-5-13(2)6-9-16/h5-11,14H,4,12H2,1-3H3,(H,21,22)/t14-/m1/s1
InChIKeyRPGWKOCJKMLUFT-CQSZACIVSA-N
XLogP4.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]-3-methylbenzamide
CID 133161789
4-methoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide
CID 95179251
4-ethoxy-N-[1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 132651364
3-[(4-chloro-3-methylphenoxy)methyl]-4-ethoxy-N-(1-methoxypropan-2-yl)benzamide
CID 133221280
3-chloro-4-ethoxy-N-(2-methylpropyl)benzamide
CID 1250371
3-chloro-4-ethoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 133184821
3-chloro-4-ethoxy-N-[1-(4-ethylphenyl)ethyl]benzamide
CID 133256897
3-chloro-N-(3,5-dimethylphenyl)-4-ethoxybenzamide
CID 806791
6-bromo-N-[1-(4-methylphenoxy)propan-2-yl]pyridine-3-carboxamide
CID 66464126
3-fluoro-4-methoxy-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]benzamide
CID 100611701
N-[1-(4-methylphenoxy)propan-2-yl]-4-nitrobenzamide
CID 132650572
3,4-diethoxy-N-(1-hydroxypropan-2-yl)benzamide
CID 43418840

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-ethoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide?
The IUPAC name of 3-chloro-4-ethoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide (CID 100713523) is 3-chloro-4-ethoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide.
What is the SMILES notation for 3-chloro-4-ethoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide?
The canonical SMILES for 3-chloro-4-ethoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide is CCOc1ccc(C(=O)N[C@H](C)COc2ccc(C)cc2)cc1Cl.
What is the InChIKey of 3-chloro-4-ethoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide?
The InChIKey is RPGWKOCJKMLUFT-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-4-23-18-10-7-15(11-17(18)20)19(22)21-14(3)12-24-16-8-5-13(2)6-9-16/h5-11,14H,4,12H2,1-3H3,(H,21,22)/t14-/m1/s1.
What are the key properties of 3-chloro-4-ethoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide?
3-chloro-4-ethoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide has a molecular weight of 347.84 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-ethoxy-N-[(2R)-1-(4-methylphenoxy)propan-2-yl]benzamide is sourced from PubChem (CID 100713523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).