2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-phenoxyphenyl)acetamide

C22H21ClN2O3 — CID 109011102

IUPAC2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-phenoxyphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NCC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C22H21ClN2O3/c1-15-12-19(21(27-2)13-17(15)23)24-14-22(26)25-18-10-6-7-11-20(18)28-16-8-4-3-5-9-16/h3-13,24H,14H2,1-2H3,(H,25,26)
InChIKeyJBXQCVDVSMFERW-UHFFFAOYSA-N
MW396.87 g/mol
LogP5.50
Rot. Bonds7

About 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-phenoxyphenyl)acetamide

2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-phenoxyphenyl)acetamide (PubChem CID 109011102) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-phenoxyphenyl)acetamide
PubChem CID109011102
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-phenoxyphenyl)acetamide
SMILESCOc1cc(Cl)c(C)cc1NCC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C22H21ClN2O3/c1-15-12-19(21(27-2)13-17(15)23)24-14-22(26)25-18-10-6-7-11-20(18)28-16-8-4-3-5-9-16/h3-13,24H,14H2,1-2H3,(H,25,26)
InChIKeyJBXQCVDVSMFERW-UHFFFAOYSA-N
XLogP5.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.87
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922845
N-(2-methoxyphenyl)-2-(2-phenoxyanilino)acetamide
CID 7922855
2-(4-chloro-2-methoxy-5-methylanilino)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 9102880
2-(2-chloroanilino)-N-(2-phenoxyphenyl)acetamide
CID 9098717
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 109007861
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxyanilino)acetamide
CID 109009071
2-(5-chloro-2-methoxyanilino)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
CID 26417292
3-(4-chloro-2-methoxy-5-methylanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039788
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(2,4-dichloroanilino)acetamide
CID 109011166
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 87029713
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-phenylpropanediamide
CID 108952893
N-(4-chloro-2-methoxy-5-methylphenyl)-2-phenylsulfanylacetamide
CID 895197

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-phenoxyphenyl)acetamide (CID 109011102) is 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-phenoxyphenyl)acetamide is COc1cc(Cl)c(C)cc1NCC(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-phenoxyphenyl)acetamide?
The InChIKey is JBXQCVDVSMFERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-15-12-19(21(27-2)13-17(15)23)24-14-22(26)25-18-10-6-7-11-20(18)28-16-8-4-3-5-9-16/h3-13,24H,14H2,1-2H3,(H,25,26).
What are the key properties of 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-phenoxyphenyl)acetamide?
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-phenoxyphenyl)acetamide has a molecular weight of 396.87 g/mol, XLogP of 5.50, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 109011102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).