2-(2,4-dichlorophenoxy)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]butanamide

C20H21Cl2NO3 — CID 71229496

IUPAC2-(2,4-dichlorophenoxy)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]butanamide
SMILESCCC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2c(c1)CC(C)O2
InChIInChI=1S/C20H21Cl2NO3/c1-3-17(26-19-7-5-15(21)10-16(19)22)20(24)23-11-13-4-6-18-14(9-13)8-12(2)25-18/h4-7,9-10,12,17H,3,8,11H2,1-2H3,(H,23,24)
InChIKeyZMUPSIAJJIHYCP-UHFFFAOYSA-N
MW394.30 g/mol
LogP4.79
Rot. Bonds6

About 2-(2,4-dichlorophenoxy)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]butanamide

2-(2,4-dichlorophenoxy)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]butanamide (PubChem CID 71229496) has the molecular formula C20H21Cl2NO3 and a molecular weight of 394.30 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]butanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]butanamide
PubChem CID71229496
Molecular FormulaC20H21Cl2NO3
Molecular Weight394.30 g/mol
Exact Mass393.09
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]butanamide
SMILESCCC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2c(c1)CC(C)O2
InChIInChI=1S/C20H21Cl2NO3/c1-3-17(26-19-7-5-15(21)10-16(19)22)20(24)23-11-13-4-6-18-14(9-13)8-12(2)25-18/h4-7,9-10,12,17H,3,8,11H2,1-2H3,(H,23,24)
InChIKeyZMUPSIAJJIHYCP-UHFFFAOYSA-N
XLogP4.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-2-(2-chlorophenoxy)butanamide
CID 43907223
2-[(3,5-dichloro-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 71230209
(2S)-2-(4-chlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 29419335
2-(2-chloro-4-methylphenoxy)-N-[[3-(dimethylamino)phenyl]methyl]butanamide
CID 71229917
N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]hydroxylamine
CID 82600111
2-(4-chlorophenoxy)-N-[(3,4-diethoxyphenyl)methyl]butanamide
CID 132659523
2-(4-chlorophenoxy)-N-(naphthalen-2-ylmethyl)butanamide
CID 133218872
(3R)-3-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylamino]pentanoic acid
CID 166264602
2-(2,4-dichlorophenoxy)-N-[(3,4-dihydroxyphenyl)methyl]propanamide
CID 70843494
(2S)-2-(2,4-dichlorophenoxy)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]butanamide
CID 124753412
N-(1,3-benzodioxol-5-ylmethyl)-2-(2,5-dimethylphenoxy)butanamide
CID 43904877
(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(2-fluorophenoxy)butanamide
CID 7443270

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]butanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]butanamide (CID 71229496) is 2-(2,4-dichlorophenoxy)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]butanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]butanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]butanamide is CCC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2c(c1)CC(C)O2.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]butanamide?
The InChIKey is ZMUPSIAJJIHYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2NO3/c1-3-17(26-19-7-5-15(21)10-16(19)22)20(24)23-11-13-4-6-18-14(9-13)8-12(2)25-18/h4-7,9-10,12,17H,3,8,11H2,1-2H3,(H,23,24).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]butanamide?
2-(2,4-dichlorophenoxy)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]butanamide has a molecular weight of 394.30 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]butanamide is sourced from PubChem (CID 71229496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).