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

C14H19BrN2O2 — CID 115648071

IUPACN-(3-bromophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC(CCO)C1)Nc1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c15-12-2-1-3-13(8-12)16-14(19)10-17-6-4-11(9-17)5-7-18/h1-3,8,11,18H,4-7,9-10H2,(H,16,19)
InChIKeyUBWSDFQTUXEPDN-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.09
Rot. Bonds5

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

N-(3-bromophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide (PubChem CID 115648071) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
PubChem CID115648071
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC NameN-(3-bromophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
SMILESO=C(CN1CCC(CCO)C1)Nc1cccc(Br)c1
InChIInChI=1S/C14H19BrN2O2/c15-12-2-1-3-13(8-12)16-14(19)10-17-6-4-11(9-17)5-7-18/h1-3,8,11,18H,4-7,9-10H2,(H,16,19)
InChIKeyUBWSDFQTUXEPDN-UHFFFAOYSA-N
XLogP2.09
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8530969
N-(2,6-difluorophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648371
N-(3-bromophenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681799
2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639
N-(3-bromophenyl)-2-[(1-ethylpyrrolidin-3-yl)methylamino]acetamide
CID 60857365
N-(4-bromo-2-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 62358331
N-(2-fluorophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 115648320
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-phenylpropanamide
CID 115647931
2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 115647804
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 119918098
2-[4-(hydroxymethyl)piperidin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
CID 60768456
N-(3-bromophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684623

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(3-bromophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide (CID 115648071) is N-(3-bromophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(3-bromophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide is O=C(CN1CCC(CCO)C1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide?
The InChIKey is UBWSDFQTUXEPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c15-12-2-1-3-13(8-12)16-14(19)10-17-6-4-11(9-17)5-7-18/h1-3,8,11,18H,4-7,9-10H2,(H,16,19).
What are the key properties of N-(3-bromophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide?
N-(3-bromophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide has a molecular weight of 327.22 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 115648071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).