N-(3-bromophenyl)-2-(2-butoxyanilino)acetamide

C18H21BrN2O2 — CID 54827782

IUPACN-(3-bromophenyl)-2-(2-butoxyanilino)acetamide
SMILESCCCCOc1ccccc1NCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C18H21BrN2O2/c1-2-3-11-23-17-10-5-4-9-16(17)20-13-18(22)21-15-8-6-7-14(19)12-15/h4-10,12,20H,2-3,11,13H2,1H3,(H,21,22)
InChIKeyKGDYQTMTQFNCQC-UHFFFAOYSA-N
MW377.28 g/mol
LogP4.68
Rot. Bonds8

About N-(3-bromophenyl)-2-(2-butoxyanilino)acetamide

N-(3-bromophenyl)-2-(2-butoxyanilino)acetamide (PubChem CID 54827782) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-(2-butoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-(2-butoxyanilino)acetamide
PubChem CID54827782
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC NameN-(3-bromophenyl)-2-(2-butoxyanilino)acetamide
SMILESCCCCOc1ccccc1NCC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C18H21BrN2O2/c1-2-3-11-23-17-10-5-4-9-16(17)20-13-18(22)21-15-8-6-7-14(19)12-15/h4-10,12,20H,2-3,11,13H2,1H3,(H,21,22)
InChIKeyKGDYQTMTQFNCQC-UHFFFAOYSA-N
XLogP4.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[2-(2-butoxyanilino)acetyl]amino]phenyl]propanamide
CID 54828042
N-(3-acetamidophenyl)-2-(2-butoxyanilino)acetamide
CID 54828105
2-(2-butoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 54828034
2-(2-butoxyanilino)-N-(4-propoxyphenyl)acetamide
CID 54828232
2-(2-butoxyanilino)-N-(4-chlorophenyl)acetamide
CID 54827839
N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]hexanamide
CID 54817487
2-[2-(2-ethoxyethoxy)anilino]-N-(3-heptoxyphenyl)acetamide
CID 54827601
N-(3-hexoxyphenyl)-2-[2-(3-phenylpropoxy)anilino]acetamide
CID 54827137
N-(3-hexoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 54817265
N-(2-butoxyphenyl)-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54826111
4-[[2-(2-butoxyanilino)acetyl]amino]-N-methylbenzamide
CID 54828140
2-(2-ethoxyanilino)-N-(3-ethoxyphenyl)acetamide
CID 54817200

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-(2-butoxyanilino)acetamide?
The IUPAC name of N-(3-bromophenyl)-2-(2-butoxyanilino)acetamide (CID 54827782) is N-(3-bromophenyl)-2-(2-butoxyanilino)acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-(2-butoxyanilino)acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-(2-butoxyanilino)acetamide is CCCCOc1ccccc1NCC(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-(2-butoxyanilino)acetamide?
The InChIKey is KGDYQTMTQFNCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-2-3-11-23-17-10-5-4-9-16(17)20-13-18(22)21-15-8-6-7-14(19)12-15/h4-10,12,20H,2-3,11,13H2,1H3,(H,21,22).
What are the key properties of N-(3-bromophenyl)-2-(2-butoxyanilino)acetamide?
N-(3-bromophenyl)-2-(2-butoxyanilino)acetamide has a molecular weight of 377.28 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-(2-butoxyanilino)acetamide is sourced from PubChem (CID 54827782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).