2-(3-chloro-4-methoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide

C22H21ClN2O3 — CID 54819265

IUPAC2-(3-chloro-4-methoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C22H21ClN2O3/c1-27-21-12-9-18(13-20(21)23)24-14-22(26)25-17-7-10-19(11-8-17)28-15-16-5-3-2-4-6-16/h2-13,24H,14-15H2,1H3,(H,25,26)
InChIKeyILOMJALRABEGLV-UHFFFAOYSA-N
MW396.87 g/mol
LogP4.98
Rot. Bonds8

About 2-(3-chloro-4-methoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide

2-(3-chloro-4-methoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide (PubChem CID 54819265) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
PubChem CID54819265
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name2-(3-chloro-4-methoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide
SMILESCOc1ccc(NCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C22H21ClN2O3/c1-27-21-12-9-18(13-20(21)23)24-14-22(26)25-17-7-10-19(11-8-17)28-15-16-5-3-2-4-6-16/h2-13,24H,14-15H2,1H3,(H,25,26)
InChIKeyILOMJALRABEGLV-UHFFFAOYSA-N
XLogP4.98
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-[4-(2-phenylethoxy)anilino]acetamide
CID 54823702
2-(3-chloro-4-methoxyanilino)-N-[4-(3-methylbutoxy)phenyl]acetamide
CID 54819290
2-(2-methoxy-4-methylphenoxy)-N-(4-phenylmethoxyphenyl)acetamide
CID 2095965
N-(3-chloro-4-methoxyphenyl)-2-[3-(2-phenylethynyl)anilino]acetamide
CID 112812610
2-(3-chloro-4-methoxyanilino)-N-(4-iodophenyl)acetamide
CID 26509562
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethoxyanilino)acetamide
CID 109008835
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2-phenylacetamide
CID 9468421
N-[4-[[2-(4-phenylmethoxyanilino)acetyl]amino]phenyl]butanamide
CID 54821938
N-benzyl-4-[[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]amino]benzamide
CID 54843765
N-(3-chloro-4-methoxyphenyl)-2-(4-heptoxyanilino)acetamide
CID 54822051
2-[4-(dimethylamino)anilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 109010303
methyl 3-oxo-3-(4-phenylmethoxyanilino)propanoate
CID 28638020

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide (CID 54819265) is 2-(3-chloro-4-methoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide is COc1ccc(NCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide?
The InChIKey is ILOMJALRABEGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-27-21-12-9-18(13-20(21)23)24-14-22(26)25-17-7-10-19(11-8-17)28-15-16-5-3-2-4-6-16/h2-13,24H,14-15H2,1H3,(H,25,26).
What are the key properties of 2-(3-chloro-4-methoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide?
2-(3-chloro-4-methoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide has a molecular weight of 396.87 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyanilino)-N-(4-phenylmethoxyphenyl)acetamide is sourced from PubChem (CID 54819265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).