2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[(3-methoxyphenyl)methyl]acetamide

C18H20BrClN2O3 — CID 134042832

IUPAC2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCCOc1c(Br)cc(Cl)cc1NCC(=O)NCc1cccc(OC)c1
InChIInChI=1S/C18H20BrClN2O3/c1-3-25-18-15(19)8-13(20)9-16(18)21-11-17(23)22-10-12-5-4-6-14(7-12)24-2/h4-9,21H,3,10-11H2,1-2H3,(H,22,23)
InChIKeyMKSHUDIHANQUFB-UHFFFAOYSA-N
MW427.73 g/mol
LogP4.24
Rot. Bonds8

About 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[(3-methoxyphenyl)methyl]acetamide

2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 134042832) has the molecular formula C18H20BrClN2O3 and a molecular weight of 427.73 g/mol. Its IUPAC name is 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID134042832
Molecular FormulaC18H20BrClN2O3
Molecular Weight427.73 g/mol
Exact Mass426.03
IUPAC Name2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCCOc1c(Br)cc(Cl)cc1NCC(=O)NCc1cccc(OC)c1
InChIInChI=1S/C18H20BrClN2O3/c1-3-25-18-15(19)8-13(20)9-16(18)21-11-17(23)22-10-12-5-4-6-14(7-12)24-2/h4-9,21H,3,10-11H2,1-2H3,(H,22,23)
InChIKeyMKSHUDIHANQUFB-UHFFFAOYSA-N
XLogP4.24
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.73
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525110
N-benzyl-3-bromo-5-chloro-2-ethoxyaniline
CID 43690745
N-[(3-methoxyphenyl)methyl]-2-(2-phenoxyanilino)acetamide
CID 31525744
2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 31526257
2-(4-fluoro-2-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525932
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
3-chloro-N-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 27231758
3-bromo-5-chloro-2-ethoxy-N-(3-phenylpropyl)aniline
CID 43690682
2-(tert-butylamino)-N-[(3-ethoxyphenyl)methyl]acetamide
CID 112730361
2-(3-bromo-5-chloro-2-ethoxyanilino)-N-(4-nitrophenyl)acetamide
CID 24615148
2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 18074647
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[(3-methoxyphenyl)methyl]acetamide (CID 134042832) is 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[(3-methoxyphenyl)methyl]acetamide is CCOc1c(Br)cc(Cl)cc1NCC(=O)NCc1cccc(OC)c1.
What is the InChIKey of 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is MKSHUDIHANQUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrClN2O3/c1-3-25-18-15(19)8-13(20)9-16(18)21-11-17(23)22-10-12-5-4-6-14(7-12)24-2/h4-9,21H,3,10-11H2,1-2H3,(H,22,23).
What are the key properties of 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[(3-methoxyphenyl)methyl]acetamide?
2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 427.73 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-chloro-2-ethoxyanilino)-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 134042832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).