2-[2-chloro-6-methoxy-4-[(2-propan-2-ylanilino)methyl]phenoxy]acetamide

C19H23ClN2O3 — CID 119934631

IUPAC2-[2-chloro-6-methoxy-4-[(2-propan-2-ylanilino)methyl]phenoxy]acetamide
SMILESCOc1cc(CNc2ccccc2C(C)C)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C19H23ClN2O3/c1-12(2)14-6-4-5-7-16(14)22-10-13-8-15(20)19(17(9-13)24-3)25-11-18(21)23/h4-9,12,22H,10-11H2,1-3H3,(H2,21,23)
InChIKeyORLLOQNWNGPAED-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.95
Rot. Bonds8

About 2-[2-chloro-6-methoxy-4-[(2-propan-2-ylanilino)methyl]phenoxy]acetamide

2-[2-chloro-6-methoxy-4-[(2-propan-2-ylanilino)methyl]phenoxy]acetamide (PubChem CID 119934631) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-[2-chloro-6-methoxy-4-[(2-propan-2-ylanilino)methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-chloro-6-methoxy-4-[(2-propan-2-ylanilino)methyl]phenoxy]acetamide
PubChem CID119934631
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC Name2-[2-chloro-6-methoxy-4-[(2-propan-2-ylanilino)methyl]phenoxy]acetamide
SMILESCOc1cc(CNc2ccccc2C(C)C)cc(Cl)c1OCC(N)=O
InChIInChI=1S/C19H23ClN2O3/c1-12(2)14-6-4-5-7-16(14)22-10-13-8-15(20)19(17(9-13)24-3)25-11-18(21)23/h4-9,12,22H,10-11H2,1-3H3,(H2,21,23)
InChIKeyORLLOQNWNGPAED-UHFFFAOYSA-N
XLogP3.95
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(benzylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 4721633
4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 17442232
2-[2-chloro-6-methoxy-4-[(2-methoxypropylamino)methyl]phenoxy]acetamide
CID 102696899
2-[2-chloro-6-methoxy-4-[(3-methylbutylamino)methyl]phenoxy]acetamide
CID 28548296
2-[2-chloro-4-[[(2-hydroxy-2-phenylethyl)amino]methyl]-6-methoxyphenoxy]acetamide chloride
CID 21233351
2-[2-chloro-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxyphenoxy]acetamide
CID 834045
2-[2-chloro-4-[(2,2-difluoroethylamino)methyl]-6-methoxyphenoxy]acetamide
CID 115405747
2-[2-chloro-4-[[1-(4-hydroxyphenyl)propan-2-ylamino]methyl]-6-methoxyphenoxy]acetamide
CID 119122685
2-[2-chloro-4-[(cyclopropylamino)methyl]-6-methoxyphenoxy]acetamide
CID 4720907
2-[2-chloro-4-[[2-(3,4-dimethoxyphenyl)ethylamino]methyl]-6-methoxyphenoxy]acetamide
CID 4716345
2-[2-chloro-6-methoxy-4-[[(1-methylcyclopropyl)methylamino]methyl]phenoxy]acetamide
CID 103724240
2-[4-[(but-2-ynylamino)methyl]-2-chloro-6-methoxyphenoxy]acetamide
CID 115866328

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-6-methoxy-4-[(2-propan-2-ylanilino)methyl]phenoxy]acetamide?
The IUPAC name of 2-[2-chloro-6-methoxy-4-[(2-propan-2-ylanilino)methyl]phenoxy]acetamide (CID 119934631) is 2-[2-chloro-6-methoxy-4-[(2-propan-2-ylanilino)methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[2-chloro-6-methoxy-4-[(2-propan-2-ylanilino)methyl]phenoxy]acetamide?
The canonical SMILES for 2-[2-chloro-6-methoxy-4-[(2-propan-2-ylanilino)methyl]phenoxy]acetamide is COc1cc(CNc2ccccc2C(C)C)cc(Cl)c1OCC(N)=O.
What is the InChIKey of 2-[2-chloro-6-methoxy-4-[(2-propan-2-ylanilino)methyl]phenoxy]acetamide?
The InChIKey is ORLLOQNWNGPAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-12(2)14-6-4-5-7-16(14)22-10-13-8-15(20)19(17(9-13)24-3)25-11-18(21)23/h4-9,12,22H,10-11H2,1-3H3,(H2,21,23).
What are the key properties of 2-[2-chloro-6-methoxy-4-[(2-propan-2-ylanilino)methyl]phenoxy]acetamide?
2-[2-chloro-6-methoxy-4-[(2-propan-2-ylanilino)methyl]phenoxy]acetamide has a molecular weight of 362.86 g/mol, XLogP of 3.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-6-methoxy-4-[(2-propan-2-ylanilino)methyl]phenoxy]acetamide is sourced from PubChem (CID 119934631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).