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

C14H20BrN3O — CID 60660272

IUPACN-(4-bromophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
SMILESO=C(CNCCN1CCCC1)Nc1ccc(Br)cc1
InChIInChI=1S/C14H20BrN3O/c15-12-3-5-13(6-4-12)17-14(19)11-16-7-10-18-8-1-2-9-18/h3-6,16H,1-2,7-11H2,(H,17,19)
InChIKeyQAAZRGJHGKGISL-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.07
Rot. Bonds6

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

N-(4-bromophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide (PubChem CID 60660272) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
PubChem CID60660272
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC NameN-(4-bromophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
SMILESO=C(CNCCN1CCCC1)Nc1ccc(Br)cc1
InChIInChI=1S/C14H20BrN3O/c15-12-3-5-13(6-4-12)17-14(19)11-16-7-10-18-8-1-2-9-18/h3-6,16H,1-2,7-11H2,(H,17,19)
InChIKeyQAAZRGJHGKGISL-UHFFFAOYSA-N
XLogP2.07
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.07
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

2-(2-piperidin-1-ylethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 43816687
N-(4-cyclohexylphenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 22448118
N-(4-chlorophenyl)-2-(3-pyrrolidin-1-ylpropylamino)acetamide
CID 60673794
2-(2-morpholin-4-ylethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 43816686
N-(4-bromophenyl)-2-[2-(cyclopenten-1-yl)ethylamino]acetamide
CID 106174200
N-(3-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 55023239
1-(4-bromophenyl)-3-(4-piperidin-1-ylbutyl)urea
CID 46831360
N-(2-chlorophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide
CID 60660334
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119885631
2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108994837
N-(4-bromophenyl)-2-[(1-hydroxycycloheptyl)methylamino]acetamide
CID 65122968
N-(3-bromo-4-methylphenyl)-3-piperidin-1-ylpropanamide
CID 778184

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide (CID 60660272) is N-(4-bromophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide is O=C(CNCCN1CCCC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide?
The InChIKey is QAAZRGJHGKGISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c15-12-3-5-13(6-4-12)17-14(19)11-16-7-10-18-8-1-2-9-18/h3-6,16H,1-2,7-11H2,(H,17,19).
What are the key properties of N-(4-bromophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide?
N-(4-bromophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide has a molecular weight of 326.24 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2-pyrrolidin-1-ylethylamino)acetamide is sourced from PubChem (CID 60660272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).