2,4-dichloro-N-[4-[2-(3-methylphenyl)ethoxy]-2-propanoylphenyl]benzamide

C25H23Cl2NO3 — CID 142203086

IUPAC2,4-dichloro-N-[4-[2-(3-methylphenyl)ethoxy]-2-propanoylphenyl]benzamide
SMILESCCC(=O)c1cc(OCCc2cccc(C)c2)ccc1NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H23Cl2NO3/c1-3-24(29)21-15-19(31-12-11-17-6-4-5-16(2)13-17)8-10-23(21)28-25(30)20-9-7-18(26)14-22(20)27/h4-10,13-15H,3,11-12H2,1-2H3,(H,28,30)
InChIKeyRHVSOKLYKAZHRP-UHFFFAOYSA-N
MW456.37 g/mol
LogP6.77
Rot. Bonds8

About 2,4-dichloro-N-[4-[2-(3-methylphenyl)ethoxy]-2-propanoylphenyl]benzamide

2,4-dichloro-N-[4-[2-(3-methylphenyl)ethoxy]-2-propanoylphenyl]benzamide (PubChem CID 142203086) has the molecular formula C25H23Cl2NO3 and a molecular weight of 456.37 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-[2-(3-methylphenyl)ethoxy]-2-propanoylphenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-[2-(3-methylphenyl)ethoxy]-2-propanoylphenyl]benzamide
PubChem CID142203086
Molecular FormulaC25H23Cl2NO3
Molecular Weight456.37 g/mol
Exact Mass455.11
IUPAC Name2,4-dichloro-N-[4-[2-(3-methylphenyl)ethoxy]-2-propanoylphenyl]benzamide
SMILESCCC(=O)c1cc(OCCc2cccc(C)c2)ccc1NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H23Cl2NO3/c1-3-24(29)21-15-19(31-12-11-17-6-4-5-16(2)13-17)8-10-23(21)28-25(30)20-9-7-18(26)14-22(20)27/h4-10,13-15H,3,11-12H2,1-2H3,(H,28,30)
InChIKeyRHVSOKLYKAZHRP-UHFFFAOYSA-N
XLogP6.77
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.37
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methylphenyl)ethoxy]benzoic acid
CID 10138370
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(3-methoxyphenyl)ethoxy]benzoic acid;hydride
CID 173235013
N-[2-acetyl-4-(2-naphthalen-1-ylethoxy)phenyl]-2,4-dichlorobenzamide
CID 142203116
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(5-methyl-2-phenyl-1,3-thiazol-4-yl)ethoxy]benzoic acid;hydride
CID 173235311
2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
CID 4287647
lithium;2-[(2,4-dichlorobenzoyl)amino]-5-[2-(2-methoxyphenoxy)ethoxy]benzoate;molecular hydrogen
CID 159142897
2,4-dichloro-N-[2-[(4-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
CID 1339954
2,4-dichloro-N-(4-propoxyphenyl)benzamide
CID 4942968
2,4-dichloro-N-[4-(furan-2-yl)-2-propanoylphenyl]benzamide
CID 142203101
N-[4-[(3-butoxybenzoyl)amino]phenyl]-2,4-dichlorobenzamide
CID 2261087
2-chloro-4-(2-phenylethoxy)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 155451593
2-[(2,4-dichlorobenzoyl)amino]-5-(thiophen-3-ylmethoxy)benzoate
CID 59060393

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-[2-(3-methylphenyl)ethoxy]-2-propanoylphenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-[2-(3-methylphenyl)ethoxy]-2-propanoylphenyl]benzamide (CID 142203086) is 2,4-dichloro-N-[4-[2-(3-methylphenyl)ethoxy]-2-propanoylphenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-[2-(3-methylphenyl)ethoxy]-2-propanoylphenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-[2-(3-methylphenyl)ethoxy]-2-propanoylphenyl]benzamide is CCC(=O)c1cc(OCCc2cccc(C)c2)ccc1NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[4-[2-(3-methylphenyl)ethoxy]-2-propanoylphenyl]benzamide?
The InChIKey is RHVSOKLYKAZHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23Cl2NO3/c1-3-24(29)21-15-19(31-12-11-17-6-4-5-16(2)13-17)8-10-23(21)28-25(30)20-9-7-18(26)14-22(20)27/h4-10,13-15H,3,11-12H2,1-2H3,(H,28,30).
What are the key properties of 2,4-dichloro-N-[4-[2-(3-methylphenyl)ethoxy]-2-propanoylphenyl]benzamide?
2,4-dichloro-N-[4-[2-(3-methylphenyl)ethoxy]-2-propanoylphenyl]benzamide has a molecular weight of 456.37 g/mol, XLogP of 6.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-[2-(3-methylphenyl)ethoxy]-2-propanoylphenyl]benzamide is sourced from PubChem (CID 142203086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).