N-[2-(2-bromophenyl)ethyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide

C15H21BrN2O2 — CID 86788748

IUPACN-[2-(2-bromophenyl)ethyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)NCCc2ccccc2Br)C1
InChIInChI=1S/C15H21BrN2O2/c1-11(19)13-7-9-18(10-13)15(20)17-8-6-12-4-2-3-5-14(12)16/h2-5,11,13,19H,6-10H2,1H3,(H,17,20)
InChIKeyDNILYKQOQWIWQQ-UHFFFAOYSA-N
MW341.25 g/mol
LogP2.40
Rot. Bonds4

About N-[2-(2-bromophenyl)ethyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide

N-[2-(2-bromophenyl)ethyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide (PubChem CID 86788748) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-[2-(2-bromophenyl)ethyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-bromophenyl)ethyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
PubChem CID86788748
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN-[2-(2-bromophenyl)ethyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)NCCc2ccccc2Br)C1
InChIInChI=1S/C15H21BrN2O2/c1-11(19)13-7-9-18(10-13)15(20)17-8-6-12-4-2-3-5-14(12)16/h2-5,11,13,19H,6-10H2,1H3,(H,17,20)
InChIKeyDNILYKQOQWIWQQ-UHFFFAOYSA-N
XLogP2.40
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 1-[2-(2-bromophenyl)ethylcarbamoyl]piperidine-4-carboxylate
CID 48964132
N-[2-[2-(difluoromethoxy)phenyl]ethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
CID 99858566
ethyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 49132871
methyl 4-[2-(2-bromophenyl)ethylcarbamoyl]piperazine-1-carboxylate
CID 49132987
(3S)-3-[(1S)-1-hydroxyethyl]-N-(5-methylhexyl)pyrrolidine-1-carboxamide
CID 97351621
N-[2-(2-bromophenyl)ethyl]-2-methylpiperidine-1-carboxamide
CID 48964058
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide
CID 91661880
5-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-methylpentanoic acid
CID 104686906
2-[(3R)-3-[(1R)-1-hydroxyethyl]pyrrolidin-1-yl]-2-oxo-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 124878067
4-(2-aminoethyl)-N-[2-(2-bromophenyl)ethyl]piperazine-1-carboxamide
CID 108900519
2-(2-aminophenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112623814
3-(1-hydroxyethyl)-N-[(4-phenoxyphenyl)methyl]pyrrolidine-1-carboxamide
CID 75477203

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromophenyl)ethyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[2-(2-bromophenyl)ethyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide (CID 86788748) is N-[2-(2-bromophenyl)ethyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-bromophenyl)ethyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[2-(2-bromophenyl)ethyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide is CC(O)C1CCN(C(=O)NCCc2ccccc2Br)C1.
What is the InChIKey of N-[2-(2-bromophenyl)ethyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide?
The InChIKey is DNILYKQOQWIWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-11(19)13-7-9-18(10-13)15(20)17-8-6-12-4-2-3-5-14(12)16/h2-5,11,13,19H,6-10H2,1H3,(H,17,20).
What are the key properties of N-[2-(2-bromophenyl)ethyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide?
N-[2-(2-bromophenyl)ethyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromophenyl)ethyl]-3-(1-hydroxyethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 86788748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).