2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide

C16H17BrN2O2 — CID 31525110

IUPAC2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CNc2ccc(Br)cc2)c1
InChIInChI=1S/C16H17BrN2O2/c1-21-15-4-2-3-12(9-15)10-19-16(20)11-18-14-7-5-13(17)6-8-14/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyNCJZHDPYPORTRN-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.19
Rot. Bonds6

About 2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide

2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 31525110) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is 2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID31525110
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)CNc2ccc(Br)cc2)c1
InChIInChI=1S/C16H17BrN2O2/c1-21-15-4-2-3-12(9-15)10-19-16(20)11-18-14-7-5-13(17)6-8-14/h2-9,18H,10-11H2,1H3,(H,19,20)
InChIKeyNCJZHDPYPORTRN-UHFFFAOYSA-N
XLogP3.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(difluoromethylsulfanyl)anilino]-N-[(3-methoxyphenyl)methyl]acetamide
CID 47013484
2-(4-bromophenoxy)-N-[(3-methoxyphenyl)methyl]acetamide
CID 17400822
2-(3-fluoro-4-methylanilino)-N-[(3-methoxyphenyl)methyl]acetamide
CID 31525565
N-[(3-methoxyphenyl)methyl]-2-(propan-2-ylamino)acetamide
CID 60683260
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 7842501
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
N-[(3-methoxyphenyl)methyl]-2-(2-phenoxyanilino)acetamide
CID 31525744
2-chloro-N-[(3-methoxyphenyl)methyl]acetamide
CID 4839545
N-[2-(3-methoxyphenyl)ethyl]-2-(4-phenoxyanilino)acetamide
CID 109001103
2-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]amino]benzamide
CID 31526257
N-(4-bromophenyl)-3-[[N-[(3-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]amino]propanamide
CID 111251457
2-(3-methoxyanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 109001073

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide (CID 31525110) is 2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)CNc2ccc(Br)cc2)c1.
What is the InChIKey of 2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is NCJZHDPYPORTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-21-15-4-2-3-12(9-15)10-19-16(20)11-18-14-7-5-13(17)6-8-14/h2-9,18H,10-11H2,1H3,(H,19,20).
What are the key properties of 2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide?
2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 349.23 g/mol, XLogP of 3.19, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromoanilino)-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 31525110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).