(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide

C19H22ClNO3 — CID 28567804

IUPAC(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C19H22ClNO3/c1-5-16(24-17-8-6-7-12(2)13(17)3)19(22)21-15-11-14(20)9-10-18(15)23-4/h6-11,16H,5H2,1-4H3,(H,21,22)/t16-/m0/s1
InChIKeyLPNCEABYUJIOBL-INIZCTEOSA-N
MW347.84 g/mol
LogP4.76
Rot. Bonds6

About (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide

(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide (PubChem CID 28567804) has the molecular formula C19H22ClNO3 and a molecular weight of 347.84 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
PubChem CID28567804
Molecular FormulaC19H22ClNO3
Molecular Weight347.84 g/mol
Exact Mass347.13
IUPAC Name(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
SMILESCC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cc(Cl)ccc1OC
InChIInChI=1S/C19H22ClNO3/c1-5-16(24-17-8-6-7-12(2)13(17)3)19(22)21-15-11-14(20)9-10-18(15)23-4/h6-11,16H,5H2,1-4H3,(H,21,22)/t16-/m0/s1
InChIKeyLPNCEABYUJIOBL-INIZCTEOSA-N
XLogP4.76
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.84
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(2-methylphenoxy)butanamide
CID 43916218
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenoxy)butanamide
CID 40746091
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenoxy)butanamide
CID 30384530
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(2,5-dimethylphenoxy)butanamide
CID 92673580
(2S)-2-(2,3-dimethylphenoxy)-N-(2-methoxy-5-nitrophenyl)butanamide
CID 30393331
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 92679526
(2S)-N-(3-chlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 92682220
(2S)-N-(2,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 93486925
N-(3,4-dimethoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43910432
methyl 2-[[(2S)-2-(2,3-dimethylphenoxy)butanoyl]amino]-4,5-dimethoxybenzoate
CID 28631989
N-(2,3-dichlorophenyl)-2-(2,3-dimethylphenoxy)butanamide
CID 43885937
(2R)-N-(5-chloro-2-phenoxyphenyl)-2-(2-methoxyphenoxy)butanamide
CID 9173306

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide?
The IUPAC name of (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide (CID 28567804) is (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide is CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cc(Cl)ccc1OC.
What is the InChIKey of (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide?
The InChIKey is LPNCEABYUJIOBL-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22ClNO3/c1-5-16(24-17-8-6-7-12(2)13(17)3)19(22)21-15-11-14(20)9-10-18(15)23-4/h6-11,16H,5H2,1-4H3,(H,21,22)/t16-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide?
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide has a molecular weight of 347.84 g/mol, XLogP of 4.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,3-dimethylphenoxy)butanamide is sourced from PubChem (CID 28567804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).