2-(3-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

C21H24BrN3O2 — CID 54840399

IUPAC2-(3-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)CNc3cccc(Br)c3)cc2)CC1
InChIInChI=1S/C21H24BrN3O2/c1-15-9-11-25(12-10-15)21(27)16-5-7-18(8-6-16)24-20(26)14-23-19-4-2-3-17(22)13-19/h2-8,13,15,23H,9-12,14H2,1H3,(H,24,26)
InChIKeyLWZKBXVMODLRMZ-UHFFFAOYSA-N
MW430.35 g/mol
LogP4.37
Rot. Bonds5

About 2-(3-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide

2-(3-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (PubChem CID 54840399) has the molecular formula C21H24BrN3O2 and a molecular weight of 430.35 g/mol. Its IUPAC name is 2-(3-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
PubChem CID54840399
Molecular FormulaC21H24BrN3O2
Molecular Weight430.35 g/mol
Exact Mass429.11
IUPAC Name2-(3-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
SMILESCC1CCN(C(=O)c2ccc(NC(=O)CNc3cccc(Br)c3)cc2)CC1
InChIInChI=1S/C21H24BrN3O2/c1-15-9-11-25(12-10-15)21(27)16-5-7-18(8-6-16)24-20(26)14-23-19-4-2-3-17(22)13-19/h2-8,13,15,23H,9-12,14H2,1H3,(H,24,26)
InChIKeyLWZKBXVMODLRMZ-UHFFFAOYSA-N
XLogP4.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.35
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-methylpiperidine-1-carbonyl)phenyl]-2-[3-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54841292
2-[3-(azepane-1-carbonyl)anilino]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54841463
2-(4-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54811108
N-(4-acetamidophenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843300
2-(3,5-dimethylanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54813209
N-[3-(4-methylpiperidine-1-carbonyl)phenyl]-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841357
2-(3-ethoxyanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54826455
N-ethyl-4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843069
N-(4-methoxyphenyl)-2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetamide
CID 54843609
N-butyl-3-[[2-[4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]amino]benzamide
CID 54833542
3-methyl-N-[4-[[2-[3-(4-methylpiperidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
CID 54843132
2-anilino-N-[3-(4-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 54810526

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(3-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide (CID 54840399) is 2-(3-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(3-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(3-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is CC1CCN(C(=O)c2ccc(NC(=O)CNc3cccc(Br)c3)cc2)CC1.
What is the InChIKey of 2-(3-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
The InChIKey is LWZKBXVMODLRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O2/c1-15-9-11-25(12-10-15)21(27)16-5-7-18(8-6-16)24-20(26)14-23-19-4-2-3-17(22)13-19/h2-8,13,15,23H,9-12,14H2,1H3,(H,24,26).
What are the key properties of 2-(3-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide?
2-(3-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide has a molecular weight of 430.35 g/mol, XLogP of 4.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 54840399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).