N-[1-(4-bromophenyl)propyl]-3-ethylpyrrolidine-3-carboxamide

C16H23BrN2O — CID 63139555

IUPACN-[1-(4-bromophenyl)propyl]-3-ethylpyrrolidine-3-carboxamide
SMILESCCC(NC(=O)C1(CC)CCNC1)c1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O/c1-3-14(12-5-7-13(17)8-6-12)19-15(20)16(4-2)9-10-18-11-16/h5-8,14,18H,3-4,9-11H2,1-2H3,(H,19,20)
InChIKeyKZYOENSOMVTNQQ-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.41
Rot. Bonds5

About N-[1-(4-bromophenyl)propyl]-3-ethylpyrrolidine-3-carboxamide

N-[1-(4-bromophenyl)propyl]-3-ethylpyrrolidine-3-carboxamide (PubChem CID 63139555) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]-3-ethylpyrrolidine-3-carboxamide
PubChem CID63139555
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC NameN-[1-(4-bromophenyl)propyl]-3-ethylpyrrolidine-3-carboxamide
SMILESCCC(NC(=O)C1(CC)CCNC1)c1ccc(Br)cc1
InChIInChI=1S/C16H23BrN2O/c1-3-14(12-5-7-13(17)8-6-12)19-15(20)16(4-2)9-10-18-11-16/h5-8,14,18H,3-4,9-11H2,1-2H3,(H,19,20)
InChIKeyKZYOENSOMVTNQQ-UHFFFAOYSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N-[1-(4-methoxyphenyl)propyl]pyrrolidine-3-carboxamide
CID 63139566
N-[(1R)-1-(4-bromophenyl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 81359507
N-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 55166669
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81354852
N-[1-(2-bromophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139495
N-(1,3-dihydroxypropan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 65314830
N-[1-(4-ethoxyphenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139806
3-ethyl-N-hexan-3-ylpyrrolidine-3-carboxamide
CID 63142124
(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141520
N-(1-amino-3-methyl-1-oxobutan-2-yl)-3-ethylpyrrolidine-3-carboxamide
CID 106345018
2-(azetidin-3-yl)-N-[1-(4-bromophenyl)propyl]propanamide
CID 116675405
N-[1-(4-chlorophenyl)propyl]-4-methylpiperidine-4-carboxamide
CID 63121965

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)propyl]-3-ethylpyrrolidine-3-carboxamide (CID 63139555) is N-[1-(4-bromophenyl)propyl]-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]-3-ethylpyrrolidine-3-carboxamide is CCC(NC(=O)C1(CC)CCNC1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is KZYOENSOMVTNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-3-14(12-5-7-13(17)8-6-12)19-15(20)16(4-2)9-10-18-11-16/h5-8,14,18H,3-4,9-11H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(4-bromophenyl)propyl]-3-ethylpyrrolidine-3-carboxamide?
N-[1-(4-bromophenyl)propyl]-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 339.28 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 63139555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).