(2R)-2-(2,5-dichlorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide

C19H21Cl2NO3 — CID 994885

IUPAC(2R)-2-(2,5-dichlorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
SMILESCC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)N[C@@H](C)c1cccc(OC)c1
InChIInChI=1S/C19H21Cl2NO3/c1-4-17(25-18-11-14(20)8-9-16(18)21)19(23)22-12(2)13-6-5-7-15(10-13)24-3/h5-12,17H,4H2,1-3H3,(H,22,23)/t12-,17+/m0/s1
InChIKeyMIICWRACPJRLMF-YVEFUNNKSA-N
MW382.29 g/mol
LogP5.04
Rot. Bonds7

About (2R)-2-(2,5-dichlorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide

(2R)-2-(2,5-dichlorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide (PubChem CID 994885) has the molecular formula C19H21Cl2NO3 and a molecular weight of 382.29 g/mol. Its IUPAC name is (2R)-2-(2,5-dichlorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide.

Molecular Properties

Compound Name(2R)-2-(2,5-dichlorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
PubChem CID994885
Molecular FormulaC19H21Cl2NO3
Molecular Weight382.29 g/mol
Exact Mass381.09
IUPAC Name(2R)-2-(2,5-dichlorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide
SMILESCC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)N[C@@H](C)c1cccc(OC)c1
InChIInChI=1S/C19H21Cl2NO3/c1-4-17(25-18-11-14(20)8-9-16(18)21)19(23)22-12(2)13-6-5-7-15(10-13)24-3/h5-12,17H,4H2,1-3H3,(H,22,23)/t12-,17+/m0/s1
InChIKeyMIICWRACPJRLMF-YVEFUNNKSA-N
XLogP5.04
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.29
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(3-methoxyphenoxy)-N-[(1S)-1-(4-methoxyphenyl)ethyl]butanamide
CID 99131338
(2R)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-2-(3-methoxyphenoxy)butanamide
CID 94018818
2-(3-chlorophenoxy)-N-[1-(2-methoxyphenyl)ethyl]butanamide
CID 133262253
2-(3-methoxyphenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide
CID 43875959
2-(3-chlorophenoxy)-N-[1-(4-methylphenyl)ethyl]butanamide
CID 43917030
N-(2,5-dichlorophenyl)-2-(3-methoxyphenoxy)butanamide
CID 46772626
2-amino-N-[(1S)-1-(3-methoxyphenyl)ethyl]-3-methylpentanamide
CID 81373790
2-(4-methoxyphenoxy)-N-(1-phenylethyl)butanamide
CID 21173396
(2R)-N-[(2R)-butan-2-yl]-2-(3-methoxyphenoxy)butanamide
CID 38004454
(2R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(4-methoxyphenoxy)butanamide
CID 28573185
(2S)-2-(3-chlorophenoxy)-N-[(1R)-1-(4-methoxyphenyl)propyl]butanamide
CID 99131462
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyphenoxy)butanamide
CID 92679526

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-dichlorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide?
The IUPAC name of (2R)-2-(2,5-dichlorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide (CID 994885) is (2R)-2-(2,5-dichlorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide.
What is the SMILES notation for (2R)-2-(2,5-dichlorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide?
The canonical SMILES for (2R)-2-(2,5-dichlorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide is CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)N[C@@H](C)c1cccc(OC)c1.
What is the InChIKey of (2R)-2-(2,5-dichlorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide?
The InChIKey is MIICWRACPJRLMF-YVEFUNNKSA-N. The full InChI is InChI=1S/C19H21Cl2NO3/c1-4-17(25-18-11-14(20)8-9-16(18)21)19(23)22-12(2)13-6-5-7-15(10-13)24-3/h5-12,17H,4H2,1-3H3,(H,22,23)/t12-,17+/m0/s1.
What are the key properties of (2R)-2-(2,5-dichlorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide?
(2R)-2-(2,5-dichlorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide has a molecular weight of 382.29 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-dichlorophenoxy)-N-[(1S)-1-(3-methoxyphenyl)ethyl]butanamide is sourced from PubChem (CID 994885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).