N-[(2-bromophenyl)methyl]-2-ethylpyrrolidine-2-carboxamide

C14H19BrN2O — CID 83071908

IUPACN-[(2-bromophenyl)methyl]-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCc2ccccc2Br)CCCN1
InChIInChI=1S/C14H19BrN2O/c1-2-14(8-5-9-17-14)13(18)16-10-11-6-3-4-7-12(11)15/h3-4,6-7,17H,2,5,8-10H2,1H3,(H,16,18)
InChIKeyNUMFNMADUZUPRX-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.60
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-2-ethylpyrrolidine-2-carboxamide

N-[(2-bromophenyl)methyl]-2-ethylpyrrolidine-2-carboxamide (PubChem CID 83071908) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-ethylpyrrolidine-2-carboxamide
PubChem CID83071908
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-[(2-bromophenyl)methyl]-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)NCc2ccccc2Br)CCCN1
InChIInChI=1S/C14H19BrN2O/c1-2-14(8-5-9-17-14)13(18)16-10-11-6-3-4-7-12(11)15/h3-4,6-7,17H,2,5,8-10H2,1H3,(H,16,18)
InChIKeyNUMFNMADUZUPRX-UHFFFAOYSA-N
XLogP2.60
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxamide
CID 83062780
2-ethyl-N-[2-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 83072984
N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 63141717
methyl 1-[(2-bromophenyl)methylcarbamoyl]cyclobutane-1-carboxylate
CID 115184298
1-amino-N-[(2-bromophenyl)methyl]cyclohexane-1-carboxamide
CID 61402383
N-[(2-ethylphenyl)methyl]-2-methylpyrrolidine-2-carboxamide
CID 64680133
2-[(2-bromophenyl)methyl]piperidine-2-carboxylic acid
CID 115103755
2-ethyl-N-(2-ethyl-6-methylphenyl)pyrrolidine-2-carboxamide
CID 83080160
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071732
1-(aminomethyl)-N-[(2-bromophenyl)methyl]cyclobutane-1-carboxamide
CID 113311677
(2R)-2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 129381268
2-ethyl-N-[2-(4-fluorophenyl)ethyl]pyrrolidine-2-carboxamide
CID 83080161

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-ethylpyrrolidine-2-carboxamide (CID 83071908) is N-[(2-bromophenyl)methyl]-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-ethylpyrrolidine-2-carboxamide is CCC1(C(=O)NCc2ccccc2Br)CCCN1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is NUMFNMADUZUPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-2-14(8-5-9-17-14)13(18)16-10-11-6-3-4-7-12(11)15/h3-4,6-7,17H,2,5,8-10H2,1H3,(H,16,18).
What are the key properties of N-[(2-bromophenyl)methyl]-2-ethylpyrrolidine-2-carboxamide?
N-[(2-bromophenyl)methyl]-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 83071908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).