2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide

C27H24ClNO5 — CID 3445863

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)C(C)Oc2cc(C)c(Cl)c(C)c2)cc1
InChIInChI=1S/C27H24ClNO5/c1-15-13-20(14-16(2)23(15)28)33-17(3)27(31)29-24-21-7-5-6-8-22(21)34-26(24)25(30)18-9-11-19(32-4)12-10-18/h5-14,17H,1-4H3,(H,29,31)
InChIKeyPKUPNTMAOOKVLQ-UHFFFAOYSA-N
MW477.94 g/mol
LogP6.35
Rot. Bonds7

About 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide

2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide (PubChem CID 3445863) has the molecular formula C27H24ClNO5 and a molecular weight of 477.94 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide
PubChem CID3445863
Molecular FormulaC27H24ClNO5
Molecular Weight477.94 g/mol
Exact Mass477.13
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide
SMILESCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)C(C)Oc2cc(C)c(Cl)c(C)c2)cc1
InChIInChI=1S/C27H24ClNO5/c1-15-13-20(14-16(2)23(15)28)33-17(3)27(31)29-24-21-7-5-6-8-22(21)34-26(24)25(30)18-9-11-19(32-4)12-10-18/h5-14,17H,1-4H3,(H,29,31)
InChIKeyPKUPNTMAOOKVLQ-UHFFFAOYSA-N
XLogP6.35
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.94
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-tert-butylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide
CID 3445869
(2S)-2-(3,4-dimethylphenoxy)-N-[2-(4-fluorobenzoyl)-1-benzofuran-3-yl]propanamide
CID 41137460
N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-propan-2-ylphenoxy)propanamide
CID 3446005
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18848000
N-[2-(3-fluoro-4-methylbenzoyl)-1-benzofuran-3-yl]-2-(4-fluorophenoxy)propanamide
CID 18848079
N-[2-(3-bromo-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(4-propan-2-ylphenoxy)propanamide
CID 19114881
N-[2-(3-chloro-4-methoxybenzoyl)-1-benzofuran-3-yl]-2-(2,3-dimethylphenoxy)propanamide
CID 18848009
N-(4-methoxyphenyl)-3-[[(2S)-2-phenoxypropanoyl]amino]-1-benzofuran-2-carboxamide
CID 41294972
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 3324905
(2R)-2-(2,3-dimethylphenoxy)-N-[2-(4-methylbenzoyl)-1-benzofuran-3-yl]propanamide
CID 41137494
N-[2-(4-chlorobenzoyl)-1-benzofuran-3-yl]-2-methylpropanamide
CID 4067766
3,4,5-trimethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 3445711

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide (CID 3445863) is 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide is COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)C(C)Oc2cc(C)c(Cl)c(C)c2)cc1.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide?
The InChIKey is PKUPNTMAOOKVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClNO5/c1-15-13-20(14-16(2)23(15)28)33-17(3)27(31)29-24-21-7-5-6-8-22(21)34-26(24)25(30)18-9-11-19(32-4)12-10-18/h5-14,17H,1-4H3,(H,29,31).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide has a molecular weight of 477.94 g/mol, XLogP of 6.35, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]propanamide is sourced from PubChem (CID 3445863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).