N-(4-bromophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide

C14H20BrN3O — CID 55169623

IUPACN-(4-bromophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
SMILESCNCC1CCN(CC(=O)Nc2ccc(Br)cc2)C1
InChIInChI=1S/C14H20BrN3O/c1-16-8-11-6-7-18(9-11)10-14(19)17-13-4-2-12(15)3-5-13/h2-5,11,16H,6-10H2,1H3,(H,17,19)
InChIKeyPBTQDMONUPRZJW-UHFFFAOYSA-N
MW326.24 g/mol
LogP1.93
Rot. Bonds5

About N-(4-bromophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide

N-(4-bromophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide (PubChem CID 55169623) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
PubChem CID55169623
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC NameN-(4-bromophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
SMILESCNCC1CCN(CC(=O)Nc2ccc(Br)cc2)C1
InChIInChI=1S/C14H20BrN3O/c1-16-8-11-6-7-18(9-11)10-14(19)17-13-4-2-12(15)3-5-13/h2-5,11,16H,6-10H2,1H3,(H,17,19)
InChIKeyPBTQDMONUPRZJW-UHFFFAOYSA-N
XLogP1.93
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248697
N-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921935
N-(2,6-dibromo-4-methylphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63264074
N-(4-bromophenyl)-2-(3-hydroxypyrrolidin-1-yl)acetamide
CID 62916119
N-(3-chloro-4-cyanophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63264026
2-[1-[2-(4-bromoanilino)-2-oxoethyl]piperidin-4-yl]acetic acid
CID 79611369
N-(2-bromo-4-methylphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 63267385
methyl 1-[2-(4-bromoanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47286802
2-(4-amino-3-ethylpiperidin-1-yl)-N-(4-bromophenyl)acetamide
CID 81459153
N-(3-methoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921880
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63248780
N-(4-cyanophenyl)-2-[4-(methylaminomethyl)piperidin-1-yl]acetamide
CID 63248740

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide (CID 55169623) is N-(4-bromophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide is CNCC1CCN(CC(=O)Nc2ccc(Br)cc2)C1.
What is the InChIKey of N-(4-bromophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is PBTQDMONUPRZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-16-8-11-6-7-18(9-11)10-14(19)17-13-4-2-12(15)3-5-13/h2-5,11,16H,6-10H2,1H3,(H,17,19).
What are the key properties of N-(4-bromophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide?
N-(4-bromophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 326.24 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 55169623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).