2-(3-bromoanilino)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide

C16H16BrClN2O3 — CID 42026315

IUPAC2-(3-bromoanilino)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CNc2cccc(Br)c2)c(OC)cc1Cl
InChIInChI=1S/C16H16BrClN2O3/c1-22-14-8-13(15(23-2)7-12(14)18)20-16(21)9-19-11-5-3-4-10(17)6-11/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyDOZDKEXGCFBMQM-UHFFFAOYSA-N
MW399.67 g/mol
LogP4.17
Rot. Bonds6

About 2-(3-bromoanilino)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide

2-(3-bromoanilino)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide (PubChem CID 42026315) has the molecular formula C16H16BrClN2O3 and a molecular weight of 399.67 g/mol. Its IUPAC name is 2-(3-bromoanilino)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
PubChem CID42026315
Molecular FormulaC16H16BrClN2O3
Molecular Weight399.67 g/mol
Exact Mass398.00
IUPAC Name2-(3-bromoanilino)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)CNc2cccc(Br)c2)c(OC)cc1Cl
InChIInChI=1S/C16H16BrClN2O3/c1-22-14-8-13(15(23-2)7-12(14)18)20-16(21)9-19-11-5-3-4-10(17)6-11/h3-8,19H,9H2,1-2H3,(H,20,21)
InChIKeyDOZDKEXGCFBMQM-UHFFFAOYSA-N
XLogP4.17
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.67
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-2-(3-chloro-4-methoxyanilino)acetamide
CID 42026868
N-(4-chloro-2,5-dimethoxyphenyl)-2-(3,4-dichloroanilino)acetamide
CID 42026344
N-(4-chloro-2,5-dimethoxyphenyl)-3-(3-methylanilino)propanamide
CID 109034321
2-(3-bromoanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9080359
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methoxyanilino)acetamide
CID 109009071
2-(3-bromoanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 9080374
N-(4-chloro-2,5-dimethoxyphenyl)-2-(5-chloro-2-methoxyanilino)acetamide
CID 42026368
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[3-(2-methoxyethoxy)anilino]acetamide
CID 87029713
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,5-dimethoxyanilino)acetamide
CID 109009482
2-(4-chloro-2,5-dimethoxyanilino)-N-(2,6-difluorophenyl)acetamide
CID 31054802
N-(5-tert-butyl-2-methoxyphenyl)-2-(4-chloro-2,5-dimethoxyanilino)acetamide
CID 4885055
2-(4-chloro-2,5-dimethoxyanilino)-N-(2-ethylphenyl)acetamide
CID 109007659

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-(3-bromoanilino)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide (CID 42026315) is 2-(3-bromoanilino)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-bromoanilino)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-(3-bromoanilino)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)CNc2cccc(Br)c2)c(OC)cc1Cl.
What is the InChIKey of 2-(3-bromoanilino)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
The InChIKey is DOZDKEXGCFBMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClN2O3/c1-22-14-8-13(15(23-2)7-12(14)18)20-16(21)9-19-11-5-3-4-10(17)6-11/h3-8,19H,9H2,1-2H3,(H,20,21).
What are the key properties of 2-(3-bromoanilino)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide?
2-(3-bromoanilino)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide has a molecular weight of 399.67 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 42026315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).