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

C15H21BrN2O — CID 63139495

IUPACN-[1-(2-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NC(C)c2ccccc2Br)CCNC1
InChIInChI=1S/C15H21BrN2O/c1-3-15(8-9-17-10-15)14(19)18-11(2)12-6-4-5-7-13(12)16/h4-7,11,17H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyIOVRANYUMOEPOK-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.02
Rot. Bonds4

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

N-[1-(2-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide (PubChem CID 63139495) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
PubChem CID63139495
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-[1-(2-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NC(C)c2ccccc2Br)CCNC1
InChIInChI=1S/C15H21BrN2O/c1-3-15(8-9-17-10-15)14(19)18-11(2)12-6-4-5-7-13(12)16/h4-7,11,17H,3,8-10H2,1-2H3,(H,18,19)
InChIKeyIOVRANYUMOEPOK-UHFFFAOYSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[1-(2-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2-bromophenyl)ethyl]-3-ethylpiperidine-3-carboxamide
CID 63130128
3-ethyl-N-[1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 63141842
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 81379266
N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 63141717
3-ethyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 63132202
3-ethyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
CID 81409107
4-ethyl-N-[1-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 63129157
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81354852
N-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139806
3-ethyl-N-[(1R)-1-(3-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81365899
3-ethyl-N-[(1S)-1-pyridin-3-ylethyl]pyrrolidine-3-carboxamide
CID 81404117
1-amino-N-[1-(2-bromophenyl)ethyl]cyclopropane-1-carboxamide
CID 65464635

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide (CID 63139495) is N-[1-(2-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide is CCC1(C(=O)NC(C)c2ccccc2Br)CCNC1.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is IOVRANYUMOEPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-3-15(8-9-17-10-15)14(19)18-11(2)12-6-4-5-7-13(12)16/h4-7,11,17H,3,8-10H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(2-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide?
N-[1-(2-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63139495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).