2-[2-chloro-4-[(4-phenoxyanilino)methyl]phenoxy]acetamide

C21H19ClN2O3 — CID 2992439

IUPAC2-[2-chloro-4-[(4-phenoxyanilino)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C21H19ClN2O3/c22-19-12-15(6-11-20(19)26-14-21(23)25)13-24-16-7-9-18(10-8-16)27-17-4-2-1-3-5-17/h1-12,24H,13-14H2,(H2,23,25)
InChIKeyLXRSLRMDOSCQJS-UHFFFAOYSA-N
MW382.85 g/mol
LogP4.61
Rot. Bonds8

About 2-[2-chloro-4-[(4-phenoxyanilino)methyl]phenoxy]acetamide

2-[2-chloro-4-[(4-phenoxyanilino)methyl]phenoxy]acetamide (PubChem CID 2992439) has the molecular formula C21H19ClN2O3 and a molecular weight of 382.85 g/mol. Its IUPAC name is 2-[2-chloro-4-[(4-phenoxyanilino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[(4-phenoxyanilino)methyl]phenoxy]acetamide
PubChem CID2992439
Molecular FormulaC21H19ClN2O3
Molecular Weight382.85 g/mol
Exact Mass382.11
IUPAC Name2-[2-chloro-4-[(4-phenoxyanilino)methyl]phenoxy]acetamide
SMILESNC(=O)COc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl
InChIInChI=1S/C21H19ClN2O3/c22-19-12-15(6-11-20(19)26-14-21(23)25)13-24-16-7-9-18(10-8-16)27-17-4-2-1-3-5-17/h1-12,24H,13-14H2,(H2,23,25)
InChIKeyLXRSLRMDOSCQJS-UHFFFAOYSA-N
XLogP4.61
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-4-ethoxyphenyl)methyl]-4-phenoxyaniline
CID 126124597
2-[4-[(4-bromoanilino)methyl]-2-chlorophenoxy]acetamide
CID 2986518
N-[[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126141207
4-[4-(anilinomethyl)phenoxy]-3-chlorobenzamide
CID 174444931
2-[4-(anilinomethyl)-2-methoxyphenoxy]acetamide
CID 961527
2-[4-(anilinomethyl)-2-chlorophenoxy]-N-(4-methylphenyl)acetamide
CID 4593347
2-[2-methoxy-4-[(4-phenoxyanilino)methyl]phenoxy]-N-phenylacetamide
CID 126273736
2-[2-bromo-4-[(4-phenoxyanilino)methyl]phenoxy]-N-(2-methylphenyl)acetamide
CID 126383789
2-[2-chloro-4-[(4-ethoxyanilino)methyl]phenoxy]-N-(4-chlorophenyl)acetamide
CID 5022437
N-[[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]methyl]aniline
CID 126121688
N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]-4-phenoxyaniline
CID 126116306
2-[4-[(3,4-dibromophenyl)methylamino]phenoxy]acetamide
CID 115743088

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[(4-phenoxyanilino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-chloro-4-[(4-phenoxyanilino)methyl]phenoxy]acetamide (CID 2992439) is 2-[2-chloro-4-[(4-phenoxyanilino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-4-[(4-phenoxyanilino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-4-[(4-phenoxyanilino)methyl]phenoxy]acetamide is NC(=O)COc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl.
What is the InChIKey of 2-[2-chloro-4-[(4-phenoxyanilino)methyl]phenoxy]acetamide?
The InChIKey is LXRSLRMDOSCQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3/c22-19-12-15(6-11-20(19)26-14-21(23)25)13-24-16-7-9-18(10-8-16)27-17-4-2-1-3-5-17/h1-12,24H,13-14H2,(H2,23,25).
What are the key properties of 2-[2-chloro-4-[(4-phenoxyanilino)methyl]phenoxy]acetamide?
2-[2-chloro-4-[(4-phenoxyanilino)methyl]phenoxy]acetamide has a molecular weight of 382.85 g/mol, XLogP of 4.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[(4-phenoxyanilino)methyl]phenoxy]acetamide is sourced from PubChem (CID 2992439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).