N-(2-bromo-4-cyanophenyl)-2-ethylpyrrolidine-2-carboxamide

C14H16BrN3O — CID 83071648

IUPACN-(2-bromo-4-cyanophenyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2ccc(C#N)cc2Br)CCCN1
InChIInChI=1S/C14H16BrN3O/c1-2-14(6-3-7-17-14)13(19)18-12-5-4-10(9-16)8-11(12)15/h4-5,8,17H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyGZUYRPRYABZODM-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.79
Rot. Bonds3

About N-(2-bromo-4-cyanophenyl)-2-ethylpyrrolidine-2-carboxamide

N-(2-bromo-4-cyanophenyl)-2-ethylpyrrolidine-2-carboxamide (PubChem CID 83071648) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is N-(2-bromo-4-cyanophenyl)-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-cyanophenyl)-2-ethylpyrrolidine-2-carboxamide
PubChem CID83071648
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC NameN-(2-bromo-4-cyanophenyl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCC1(C(=O)Nc2ccc(C#N)cc2Br)CCCN1
InChIInChI=1S/C14H16BrN3O/c1-2-14(6-3-7-17-14)13(19)18-12-5-4-10(9-16)8-11(12)15/h4-5,8,17H,2-3,6-7H2,1H3,(H,18,19)
InChIKeyGZUYRPRYABZODM-UHFFFAOYSA-N
XLogP2.79
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyano-3-methylphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107805121
N-(2-cyano-3-fluorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071638
N-(2-bromo-4-nitrophenyl)-2-propylpyrrolidine-2-carboxamide
CID 106974444
2-ethyl-N-(4-iodo-2-methylphenyl)pyrrolidine-2-carboxamide
CID 83071800
2-ethyl-N-(2-fluoro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 83080609
2-ethyl-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 83063422
N-(2,5-dichlorophenyl)-2-ethylpyrrolidine-2-carboxamide
CID 83080071
2-ethyl-N-(2-fluoro-4-nitrophenyl)pyrrolidine-2-carboxamide
CID 83071836
N-(2-cyano-6-methoxyphenyl)-2-ethylpyrrolidine-2-carboxamide
CID 107467735
N-(2-bromo-4-cyanophenyl)-1-cyano-3-methylcyclobutane-1-carboxamide
CID 107790779
3-[(2-ethylpyrrolidine-2-carbonyl)amino]-4-hydroxybenzoic acid
CID 107265136
2-ethyl-N-(2,4,6-trifluorophenyl)pyrrolidine-2-carboxamide
CID 83072170

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-cyanophenyl)-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-bromo-4-cyanophenyl)-2-ethylpyrrolidine-2-carboxamide (CID 83071648) is N-(2-bromo-4-cyanophenyl)-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-cyanophenyl)-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-cyanophenyl)-2-ethylpyrrolidine-2-carboxamide is CCC1(C(=O)Nc2ccc(C#N)cc2Br)CCCN1.
What is the InChIKey of N-(2-bromo-4-cyanophenyl)-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is GZUYRPRYABZODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-2-14(6-3-7-17-14)13(19)18-12-5-4-10(9-16)8-11(12)15/h4-5,8,17H,2-3,6-7H2,1H3,(H,18,19).
What are the key properties of N-(2-bromo-4-cyanophenyl)-2-ethylpyrrolidine-2-carboxamide?
N-(2-bromo-4-cyanophenyl)-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 322.21 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-cyanophenyl)-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 83071648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).