N-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide

C22H19ClN2O4 — CID 18227530

IUPACN-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H19ClN2O4/c1-28-20-5-3-2-4-19(20)22(27)25-17-10-12-18(13-11-17)29-14-21(26)24-16-8-6-15(23)7-9-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyVTIAQUXTTNOOGX-UHFFFAOYSA-N
MW410.86 g/mol
LogP4.62
Rot. Bonds7

About N-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide

N-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide (PubChem CID 18227530) has the molecular formula C22H19ClN2O4 and a molecular weight of 410.86 g/mol. Its IUPAC name is N-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
PubChem CID18227530
Molecular FormulaC22H19ClN2O4
Molecular Weight410.86 g/mol
Exact Mass410.10
IUPAC NameN-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H19ClN2O4/c1-28-20-5-3-2-4-19(20)22(27)25-17-10-12-18(13-11-17)29-14-21(26)24-16-8-6-15(23)7-9-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27)
InChIKeyVTIAQUXTTNOOGX-UHFFFAOYSA-N
XLogP4.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.86
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[4-[2-(3-methoxyanilino)-2-oxoethoxy]phenyl]benzamide
CID 18224632
4-[[2-(4-chlorophenoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 7816201
2-chloro-N-[4-[[2-(4-chlorophenoxy)acetyl]amino]-2-methoxyphenyl]benzamide
CID 17111369
N-[4-[2-[[(2R)-butan-2-yl]amino]-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 9318169
N-[4-[2-(butylamino)-2-oxoethoxy]phenyl]-2-methoxybenzamide
CID 9401212
2-methoxy-N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethoxy]phenyl]benzamide
CID 9114687
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-methoxybenzoate
CID 7485463
N-(4-anilinophenyl)-2-[[2-(4-chlorophenoxy)acetyl]amino]benzamide
CID 4941967
N-[4-(4-ethoxyphenoxy)phenyl]-2-methoxybenzamide
CID 7925290
2-(4-chlorophenoxy)-N-(2-methoxypyrimidin-5-yl)acetamide
CID 91968336
2-chloro-N-[2-methoxy-4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]benzamide
CID 4014221
2-methoxy-N-[4-[2-[[(1R,2R)-2-methylcyclohexyl]amino]-2-oxoethoxy]phenyl]benzamide
CID 9320007

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide?
The IUPAC name of N-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide (CID 18227530) is N-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide?
The InChIKey is VTIAQUXTTNOOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O4/c1-28-20-5-3-2-4-19(20)22(27)25-17-10-12-18(13-11-17)29-14-21(26)24-16-8-6-15(23)7-9-16/h2-13H,14H2,1H3,(H,24,26)(H,25,27).
What are the key properties of N-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide?
N-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide has a molecular weight of 410.86 g/mol, XLogP of 4.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-chloroanilino)-2-oxoethoxy]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 18227530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).