N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide

C18H20BrN3O — CID 109010455

IUPACN-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
SMILESO=C(CNc1ccc(N2CCCC2)cc1)Nc1ccccc1Br
InChIInChI=1S/C18H20BrN3O/c19-16-5-1-2-6-17(16)21-18(23)13-20-14-7-9-15(10-8-14)22-11-3-4-12-22/h1-2,5-10,20H,3-4,11-13H2,(H,21,23)
InChIKeyXJLSBZDOMRUIMD-UHFFFAOYSA-N
MW374.28 g/mol
LogP4.10
Rot. Bonds5

About N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide

N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide (PubChem CID 109010455) has the molecular formula C18H20BrN3O and a molecular weight of 374.28 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
PubChem CID109010455
Molecular FormulaC18H20BrN3O
Molecular Weight374.28 g/mol
Exact Mass373.08
IUPAC NameN-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
SMILESO=C(CNc1ccc(N2CCCC2)cc1)Nc1ccccc1Br
InChIInChI=1S/C18H20BrN3O/c19-16-5-1-2-6-17(16)21-18(23)13-20-14-7-9-15(10-8-14)22-11-3-4-12-22/h1-2,5-10,20H,3-4,11-13H2,(H,21,23)
InChIKeyXJLSBZDOMRUIMD-UHFFFAOYSA-N
XLogP4.10
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.28
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008370
N-(2-bromophenyl)-2-[4-(pyrrolidine-1-carbonyl)anilino]acetamide
CID 54834057
N-(2-tert-butylphenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109008236
N-(2-bromophenyl)-2-(4-tert-butylanilino)acetamide
CID 109008293
2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 37480616
2-anilino-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 119399959
2-(4-piperidin-1-ylanilino)-N-quinolin-8-ylacetamide
CID 109010517
N-(2-bromophenyl)-2-(4-methoxyanilino)acetamide
CID 28585942
2-(2-bromo-4-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 33163479
N-(2-methylphenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]acetamide
CID 109007147
N-(2-bromophenyl)-2-(4-nitroanilino)acetamide
CID 4780880
N-[4-[[2-(2-bromoanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54830564

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide (CID 109010455) is N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide is O=C(CNc1ccc(N2CCCC2)cc1)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
The InChIKey is XJLSBZDOMRUIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrN3O/c19-16-5-1-2-6-17(16)21-18(23)13-20-14-7-9-15(10-8-14)22-11-3-4-12-22/h1-2,5-10,20H,3-4,11-13H2,(H,21,23).
What are the key properties of N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide?
N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide has a molecular weight of 374.28 g/mol, XLogP of 4.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide is sourced from PubChem (CID 109010455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).