N-(4-bromo-3-methoxyphenyl)-2-(3-methoxyanilino)acetamide

C16H17BrN2O3 — CID 90177361

IUPACN-(4-bromo-3-methoxyphenyl)-2-(3-methoxyanilino)acetamide
SMILESCOc1cccc(NCC(=O)Nc2ccc(Br)c(OC)c2)c1
InChIInChI=1S/C16H17BrN2O3/c1-21-13-5-3-4-11(8-13)18-10-16(20)19-12-6-7-14(17)15(9-12)22-2/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyVVLROXRUPPFKGB-UHFFFAOYSA-N
MW365.23 g/mol
LogP3.52
Rot. Bonds6

About N-(4-bromo-3-methoxyphenyl)-2-(3-methoxyanilino)acetamide

N-(4-bromo-3-methoxyphenyl)-2-(3-methoxyanilino)acetamide (PubChem CID 90177361) has the molecular formula C16H17BrN2O3 and a molecular weight of 365.23 g/mol. Its IUPAC name is N-(4-bromo-3-methoxyphenyl)-2-(3-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methoxyphenyl)-2-(3-methoxyanilino)acetamide
PubChem CID90177361
Molecular FormulaC16H17BrN2O3
Molecular Weight365.23 g/mol
Exact Mass364.04
IUPAC NameN-(4-bromo-3-methoxyphenyl)-2-(3-methoxyanilino)acetamide
SMILESCOc1cccc(NCC(=O)Nc2ccc(Br)c(OC)c2)c1
InChIInChI=1S/C16H17BrN2O3/c1-21-13-5-3-4-11(8-13)18-10-16(20)19-12-6-7-14(17)15(9-12)22-2/h3-9,18H,10H2,1-2H3,(H,19,20)
InChIKeyVVLROXRUPPFKGB-UHFFFAOYSA-N
XLogP3.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.23
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9080374
N-[4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54835583
2-(4-bromo-3-methylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9099482
3-[[2-(3-methoxyanilino)acetyl]amino]benzamide
CID 54814576
2-(hydroxyamino)-N-(3-methoxyphenyl)acetamide
CID 12611733
N-(2,6-dichlorophenyl)-2-(3-methoxyanilino)acetamide
CID 43405262
N-[3-[[2-(3-methoxyanilino)acetyl]amino]phenyl]benzamide
CID 54814514
N-(4-cyanophenyl)-2-(3-methoxyanilino)acetamide
CID 39381074
2-(2-bromophenoxy)-N-(3-methoxyphenyl)acetamide
CID 729437
2-(4-bromo-3-methoxyanilino)acetic acid
CID 82868181
N-(4-butoxyphenyl)-2-(3-methoxyanilino)acetamide
CID 54814474
N-(3-methoxyphenyl)-2-[3-(2-methylprop-2-enoxy)anilino]acetamide
CID 54825899

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methoxyphenyl)-2-(3-methoxyanilino)acetamide?
The IUPAC name of N-(4-bromo-3-methoxyphenyl)-2-(3-methoxyanilino)acetamide (CID 90177361) is N-(4-bromo-3-methoxyphenyl)-2-(3-methoxyanilino)acetamide.
What is the SMILES notation for N-(4-bromo-3-methoxyphenyl)-2-(3-methoxyanilino)acetamide?
The canonical SMILES for N-(4-bromo-3-methoxyphenyl)-2-(3-methoxyanilino)acetamide is COc1cccc(NCC(=O)Nc2ccc(Br)c(OC)c2)c1.
What is the InChIKey of N-(4-bromo-3-methoxyphenyl)-2-(3-methoxyanilino)acetamide?
The InChIKey is VVLROXRUPPFKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3/c1-21-13-5-3-4-11(8-13)18-10-16(20)19-12-6-7-14(17)15(9-12)22-2/h3-9,18H,10H2,1-2H3,(H,19,20).
What are the key properties of N-(4-bromo-3-methoxyphenyl)-2-(3-methoxyanilino)acetamide?
N-(4-bromo-3-methoxyphenyl)-2-(3-methoxyanilino)acetamide has a molecular weight of 365.23 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methoxyphenyl)-2-(3-methoxyanilino)acetamide is sourced from PubChem (CID 90177361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).