N-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide

C14H19BrN2O — CID 55166669

IUPACN-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCc2ccc(Br)cc2)CCNC1
InChIInChI=1S/C14H19BrN2O/c1-2-14(7-8-16-10-14)13(18)17-9-11-3-5-12(15)6-4-11/h3-6,16H,2,7-10H2,1H3,(H,17,18)
InChIKeyTYZDGYCTNIMNPR-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.45
Rot. Bonds4

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

N-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide (PubChem CID 55166669) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
PubChem CID55166669
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCc2ccc(Br)cc2)CCNC1
InChIInChI=1S/C14H19BrN2O/c1-2-14(7-8-16-10-14)13(18)17-9-11-3-5-12(15)6-4-11/h3-6,16H,2,7-10H2,1H3,(H,17,18)
InChIKeyTYZDGYCTNIMNPR-UHFFFAOYSA-N
XLogP2.45
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 ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(4-bromophenyl)methyl]-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

3-ethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63141479
3-ethyl-N-[(4-nitrophenyl)methyl]pyrrolidine-3-carboxamide
CID 63140077
3-ethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidine-3-carboxamide
CID 106384775
N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 63141717
3-ethyl-N-[(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 55165134
3-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 107218375
N-[1-(4-bromophenyl)propyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139555
4-[[(4-ethylpiperidine-4-carbonyl)amino]methyl]benzoic acid
CID 63128895
3-ethyl-N-(furan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 63140952
3-ethyl-N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 63139949
N-[(4-propan-2-ylphenyl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63142507
3-ethyl-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 55165709

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide (CID 55166669) is N-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide is CCC1(C(=O)NCc2ccc(Br)cc2)CCNC1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is TYZDGYCTNIMNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-2-14(7-8-16-10-14)13(18)17-9-11-3-5-12(15)6-4-11/h3-6,16H,2,7-10H2,1H3,(H,17,18).
What are the key properties of N-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide?
N-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 55166669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).