N-(2,5-dichlorophenyl)-4-[2-(2-methylanilino)-2-oxoethoxy]benzamide

C22H18Cl2N2O3 — CID 1179092

IUPACN-(2,5-dichlorophenyl)-4-[2-(2-methylanilino)-2-oxoethoxy]benzamide
SMILESCc1ccccc1NC(=O)COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C22H18Cl2N2O3/c1-14-4-2-3-5-19(14)25-21(27)13-29-17-9-6-15(7-10-17)22(28)26-20-12-16(23)8-11-18(20)24/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyIHUNAHDTDZBDDK-UHFFFAOYSA-N
MW429.30 g/mol
LogP5.57
Rot. Bonds6

About N-(2,5-dichlorophenyl)-4-[2-(2-methylanilino)-2-oxoethoxy]benzamide

N-(2,5-dichlorophenyl)-4-[2-(2-methylanilino)-2-oxoethoxy]benzamide (PubChem CID 1179092) has the molecular formula C22H18Cl2N2O3 and a molecular weight of 429.30 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-[2-(2-methylanilino)-2-oxoethoxy]benzamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-[2-(2-methylanilino)-2-oxoethoxy]benzamide
PubChem CID1179092
Molecular FormulaC22H18Cl2N2O3
Molecular Weight429.30 g/mol
Exact Mass428.07
IUPAC NameN-(2,5-dichlorophenyl)-4-[2-(2-methylanilino)-2-oxoethoxy]benzamide
SMILESCc1ccccc1NC(=O)COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C22H18Cl2N2O3/c1-14-4-2-3-5-19(14)25-21(27)13-29-17-9-6-15(7-10-17)22(28)26-20-12-16(23)8-11-18(20)24/h2-12H,13H2,1H3,(H,25,27)(H,26,28)
InChIKeyIHUNAHDTDZBDDK-UHFFFAOYSA-N
XLogP5.57
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.30
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[2-(4-chlorophenoxy)acetyl]amino]-2-methylphenyl]benzamide
CID 55899034
N-(2-methylphenyl)-4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]benzamide
CID 1188045
2-(4-benzoylphenoxy)-N-(4-chloro-2-methylphenyl)acetamide
CID 7717727
2-(4-chloro-3-ethylphenoxy)-N-(2-methylphenyl)acetamide
CID 18074792
2-(4-acetamidophenoxy)-N-(2,5-dichlorophenyl)acetamide
CID 7203488
2-(4-methylphenoxy)-N-(2-methylphenyl)acetamide
CID 836156
2-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2,5-dichlorophenyl)acetamide
CID 8502071
4-chloro-N-(2-methylphenyl)-3-[(2-phenylacetyl)amino]benzamide
CID 7312019
N-(2,5-dichlorophenyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 7899903
4-butoxy-N-[2-(2,5-dichloroanilino)-2-oxoethyl]benzamide
CID 9440425
N-(4-chloro-2-methylphenyl)-4-[(2-chlorophenyl)methoxy]benzamide
CID 8813256
2-(4-acetamidophenoxy)-N-(5-chloro-2-methylphenyl)acetamide
CID 964612

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-[2-(2-methylanilino)-2-oxoethoxy]benzamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-[2-(2-methylanilino)-2-oxoethoxy]benzamide (CID 1179092) is N-(2,5-dichlorophenyl)-4-[2-(2-methylanilino)-2-oxoethoxy]benzamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-[2-(2-methylanilino)-2-oxoethoxy]benzamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-[2-(2-methylanilino)-2-oxoethoxy]benzamide is Cc1ccccc1NC(=O)COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-[2-(2-methylanilino)-2-oxoethoxy]benzamide?
The InChIKey is IHUNAHDTDZBDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N2O3/c1-14-4-2-3-5-19(14)25-21(27)13-29-17-9-6-15(7-10-17)22(28)26-20-12-16(23)8-11-18(20)24/h2-12H,13H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-(2,5-dichlorophenyl)-4-[2-(2-methylanilino)-2-oxoethoxy]benzamide?
N-(2,5-dichlorophenyl)-4-[2-(2-methylanilino)-2-oxoethoxy]benzamide has a molecular weight of 429.30 g/mol, XLogP of 5.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4-[2-(2-methylanilino)-2-oxoethoxy]benzamide is sourced from PubChem (CID 1179092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).