2-(2-bromo-4-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide

C19H22BrN3O — CID 33163479

IUPAC2-(2-bromo-4-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(N3CCCC3)cc2)c(Br)c1
InChIInChI=1S/C19H22BrN3O/c1-14-4-9-18(17(20)12-14)21-13-19(24)22-15-5-7-16(8-6-15)23-10-2-3-11-23/h4-9,12,21H,2-3,10-11,13H2,1H3,(H,22,24)
InChIKeyBKNNUWOYPHHKIE-UHFFFAOYSA-N
MW388.31 g/mol
LogP4.41
Rot. Bonds5

About 2-(2-bromo-4-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide

2-(2-bromo-4-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide (PubChem CID 33163479) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is 2-(2-bromo-4-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-4-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
PubChem CID33163479
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC Name2-(2-bromo-4-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
SMILESCc1ccc(NCC(=O)Nc2ccc(N3CCCC3)cc2)c(Br)c1
InChIInChI=1S/C19H22BrN3O/c1-14-4-9-18(17(20)12-14)21-13-19(24)22-15-5-7-16(8-6-15)23-10-2-3-11-23/h4-9,12,21H,2-3,10-11,13H2,1H3,(H,22,24)
InChIKeyBKNNUWOYPHHKIE-UHFFFAOYSA-N
XLogP4.41
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 54.41
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

1-(2-bromo-4-methylphenyl)-3-(4-piperidin-1-ylphenyl)urea
CID 108992513
2-(2-acetamido-5-chloroanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 60603019
2-(2-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 37480616
N'-(3-methylphenyl)-N-(4-piperidin-1-ylphenyl)propanediamide
CID 108953051
N-(2-bromophenyl)-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109010455
2-(2,3-dichloroanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 109010505
N-[4-(azepan-1-yl)phenyl]-2-(4-methylphenyl)acetamide
CID 112985752
methyl 2-[[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl]amino]benzoate
CID 55434513
3-(3-methylanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 109034292
2-(2-methoxy-5-methylanilino)-N-(4-morpholin-4-ylphenyl)acetamide
CID 9099925
2-(4-piperidin-1-ylanilino)-N-(2,4,6-trimethylphenyl)acetamide
CID 37221892
N-[4-(dimethylamino)phenyl]-2-(4-pyrrolidin-1-ylanilino)acetamide
CID 109010337

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The IUPAC name of 2-(2-bromo-4-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide (CID 33163479) is 2-(2-bromo-4-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-bromo-4-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The canonical SMILES for 2-(2-bromo-4-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide is Cc1ccc(NCC(=O)Nc2ccc(N3CCCC3)cc2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
The InChIKey is BKNNUWOYPHHKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O/c1-14-4-9-18(17(20)12-14)21-13-19(24)22-15-5-7-16(8-6-15)23-10-2-3-11-23/h4-9,12,21H,2-3,10-11,13H2,1H3,(H,22,24).
What are the key properties of 2-(2-bromo-4-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide?
2-(2-bromo-4-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide has a molecular weight of 388.31 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)acetamide is sourced from PubChem (CID 33163479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).