(2R)-2-(4-chlorophenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide

C19H22ClNO3 — CID 99131710

IUPAC(2R)-2-(4-chlorophenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide
SMILESCCOc1cccc(CNC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H22ClNO3/c1-3-18(24-16-10-8-15(20)9-11-16)19(22)21-13-14-6-5-7-17(12-14)23-4-2/h5-12,18H,3-4,13H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyLYDYGWVNLLNROL-GOSISDBHSA-N
MW347.84 g/mol
LogP4.21
Rot. Bonds8

About (2R)-2-(4-chlorophenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide

(2R)-2-(4-chlorophenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide (PubChem CID 99131710) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide
PubChem CID99131710
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name(2R)-2-(4-chlorophenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide
SMILESCCOc1cccc(CNC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)c1
InChIInChI=1S/C19H22ClNO3/c1-3-18(24-16-10-8-15(20)9-11-16)19(22)21-13-14-6-5-7-17(12-14)23-4-2/h5-12,18H,3-4,13H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyLYDYGWVNLLNROL-GOSISDBHSA-N
XLogP4.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-ethylphenoxy)butanamide
CID 99133064
2-(3,5-dimethylphenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide
CID 53288985
N-benzyl-2-(4-chlorophenoxy)butanamide
CID 13232190
2-(4-chlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]butanamide
CID 132659523
(2R)-N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 8891222
N-[(3-chlorophenyl)methyl]-2-phenoxybutanamide
CID 13232131
N-benzyl-2-(3-chlorophenoxy)butanamide
CID 13232174
2-(4-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
CID 133218872
N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenoxy)butanamide
CID 53284365
2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 53288701
(2S)-2-phenoxy-N-[(3-propan-2-yloxyphenyl)methyl]butanamide
CID 99132965
2-(3-methoxyphenoxy)-N-[(3-methoxyphenyl)methyl]butanamide
CID 53284474

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide?
The IUPAC name of (2R)-2-(4-chlorophenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide (CID 99131710) is (2R)-2-(4-chlorophenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide.
What is the SMILES notation for (2R)-2-(4-chlorophenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide?
The canonical SMILES for (2R)-2-(4-chlorophenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide is CCOc1cccc(CNC(=O)[C@@H](CC)Oc2ccc(Cl)cc2)c1.
What is the InChIKey of (2R)-2-(4-chlorophenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide?
The InChIKey is LYDYGWVNLLNROL-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-3-18(24-16-10-8-15(20)9-11-16)19(22)21-13-14-6-5-7-17(12-14)23-4-2/h5-12,18H,3-4,13H2,1-2H3,(H,21,22)/t18-/m1/s1.
What are the key properties of (2R)-2-(4-chlorophenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide?
(2R)-2-(4-chlorophenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide has a molecular weight of 347.84 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenoxy)-N-[(3-ethoxyphenyl)methyl]butanamide is sourced from PubChem (CID 99131710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).