N-[1-(4-bromophenyl)ethyl]pyrrolidine-1-carboxamide

C13H17BrN2O — CID 75833905

IUPACN-[1-(4-bromophenyl)ethyl]pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O/c1-10(11-4-6-12(14)7-5-11)15-13(17)16-8-2-3-9-16/h4-7,10H,2-3,8-9H2,1H3,(H,15,17)
InChIKeyKWRXDGFKCFWQJX-UHFFFAOYSA-N
MW297.20 g/mol
LogP3.32
Rot. Bonds2

About N-[1-(4-bromophenyl)ethyl]pyrrolidine-1-carboxamide

N-[1-(4-bromophenyl)ethyl]pyrrolidine-1-carboxamide (PubChem CID 75833905) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]pyrrolidine-1-carboxamide
PubChem CID75833905
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC NameN-[1-(4-bromophenyl)ethyl]pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC1)c1ccc(Br)cc1
InChIInChI=1S/C13H17BrN2O/c1-10(11-4-6-12(14)7-5-11)15-13(17)16-8-2-3-9-16/h4-7,10H,2-3,8-9H2,1H3,(H,15,17)
InChIKeyKWRXDGFKCFWQJX-UHFFFAOYSA-N
XLogP3.32
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoyl]piperidine-4-carboxylic acid
CID 122011951
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide
CID 94647353
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
1-[[(1S)-1-(4-bromophenyl)ethyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122011943
1-(4-bromophenyl)ethylcarbamoyl pyrrolidine-1-carboxylate
CID 175164192
N-[(1R)-1-(4-bromophenyl)ethyl]-4-cyanopiperidine-1-carboxamide
CID 95154756
2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone
CID 60674178
N-[1-(4-chlorophenyl)ethyl]-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 86802689
N-[(1S)-1-(4-bromophenyl)ethyl]cyclobutanecarboxamide
CID 800129
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 87008083
1-[(1S)-1-(4-bromophenyl)ethyl]-3-methylurea
CID 106831663
1-[(1R)-1-(4-bromophenyl)ethyl]-3-methylurea
CID 58762667

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]pyrrolidine-1-carboxamide (CID 75833905) is N-[1-(4-bromophenyl)ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]pyrrolidine-1-carboxamide is CC(NC(=O)N1CCCC1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]pyrrolidine-1-carboxamide?
The InChIKey is KWRXDGFKCFWQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c1-10(11-4-6-12(14)7-5-11)15-13(17)16-8-2-3-9-16/h4-7,10H,2-3,8-9H2,1H3,(H,15,17).
What are the key properties of N-[1-(4-bromophenyl)ethyl]pyrrolidine-1-carboxamide?
N-[1-(4-bromophenyl)ethyl]pyrrolidine-1-carboxamide has a molecular weight of 297.20 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 75833905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).