(2S)-2-(4-chlorophenoxy)-N-(2,4-dimethoxyphenyl)butanamide

C18H20ClNO4 — CID 9173271

IUPAC(2S)-2-(4-chlorophenoxy)-N-(2,4-dimethoxyphenyl)butanamide
SMILESCC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C18H20ClNO4/c1-4-16(24-13-7-5-12(19)6-8-13)18(21)20-15-10-9-14(22-2)11-17(15)23-3/h5-11,16H,4H2,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyWCAHPPWRJKDNDU-INIZCTEOSA-N
MW349.81 g/mol
LogP4.15
Rot. Bonds7

About (2S)-2-(4-chlorophenoxy)-N-(2,4-dimethoxyphenyl)butanamide

(2S)-2-(4-chlorophenoxy)-N-(2,4-dimethoxyphenyl)butanamide (PubChem CID 9173271) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenoxy)-N-(2,4-dimethoxyphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenoxy)-N-(2,4-dimethoxyphenyl)butanamide
PubChem CID9173271
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC Name(2S)-2-(4-chlorophenoxy)-N-(2,4-dimethoxyphenyl)butanamide
SMILESCC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC)cc1OC
InChIInChI=1S/C18H20ClNO4/c1-4-16(24-13-7-5-12(19)6-8-13)18(21)20-15-10-9-14(22-2)11-17(15)23-3/h5-11,16H,4H2,1-3H3,(H,20,21)/t16-/m0/s1
InChIKeyWCAHPPWRJKDNDU-INIZCTEOSA-N
XLogP4.15
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(4-ethylphenoxy)butanamide
CID 132652445
(2R)-N-(2,4-dimethoxyphenyl)-2-(4-fluorophenoxy)butanamide
CID 99956520
(2S)-N-(2,4-dimethoxyphenyl)-2-naphthalen-2-yloxybutanamide
CID 94020229
(2R)-N-(2,4-dimethoxyphenyl)-2-(3-methylphenoxy)butanamide
CID 93487599
(2S)-2-(4-chlorophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 9172738
(2R)-N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082643
(2S)-N-(2,5-dichlorophenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082552
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 92679526
(2R)-2-(4-chlorophenyl)sulfanyl-N-(2,4-dimethoxyphenyl)butanamide
CID 92684483
(2S)-N-(2,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 93486925
(2R)-2-(3-methoxyphenoxy)-N-(2-methoxyphenyl)butanamide
CID 94027055
N-(2,5-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide
CID 46772626

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenoxy)-N-(2,4-dimethoxyphenyl)butanamide?
The IUPAC name of (2S)-2-(4-chlorophenoxy)-N-(2,4-dimethoxyphenyl)butanamide (CID 9173271) is (2S)-2-(4-chlorophenoxy)-N-(2,4-dimethoxyphenyl)butanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenoxy)-N-(2,4-dimethoxyphenyl)butanamide?
The canonical SMILES for (2S)-2-(4-chlorophenoxy)-N-(2,4-dimethoxyphenyl)butanamide is CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(OC)cc1OC.
What is the InChIKey of (2S)-2-(4-chlorophenoxy)-N-(2,4-dimethoxyphenyl)butanamide?
The InChIKey is WCAHPPWRJKDNDU-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-4-16(24-13-7-5-12(19)6-8-13)18(21)20-15-10-9-14(22-2)11-17(15)23-3/h5-11,16H,4H2,1-3H3,(H,20,21)/t16-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenoxy)-N-(2,4-dimethoxyphenyl)butanamide?
(2S)-2-(4-chlorophenoxy)-N-(2,4-dimethoxyphenyl)butanamide has a molecular weight of 349.81 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenoxy)-N-(2,4-dimethoxyphenyl)butanamide is sourced from PubChem (CID 9173271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).