N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide

C14H18BrClN2O — CID 81271547

IUPACN-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2cc(Cl)ccc2Br)CCNC1
InChIInChI=1S/C14H18BrClN2O/c1-2-5-14(6-7-17-9-14)13(19)18-12-8-10(16)3-4-11(12)15/h3-4,8,17H,2,5-7,9H2,1H3,(H,18,19)
InChIKeyHVZKFNCXERNTTO-UHFFFAOYSA-N
MW345.67 g/mol
LogP3.82
Rot. Bonds4

About N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide

N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide (PubChem CID 81271547) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
PubChem CID81271547
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC NameN-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)Nc2cc(Cl)ccc2Br)CCNC1
InChIInChI=1S/C14H18BrClN2O/c1-2-5-14(6-7-17-9-14)13(19)18-12-8-10(16)3-4-11(12)15/h3-4,8,17H,2,5-7,9H2,1H3,(H,18,19)
InChIKeyHVZKFNCXERNTTO-UHFFFAOYSA-N
XLogP3.82
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-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

N-(5-chloro-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63140833
5-chloro-2-[(3-propylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63143879
3-propyl-N-(2,4,5-trichlorophenyl)pyrrolidine-3-carboxamide
CID 63140733
N-(4-chloro-2-iodophenyl)-3-propylpiperidine-3-carboxamide
CID 107625392
N-(2-chloro-4-iodophenyl)-3-propylpyrrolidine-3-carboxamide
CID 63140297
N-(5-bromo-2-methoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63142369
N-(3-bromophenyl)-3-propylpyrrolidine-3-carboxamide
CID 55164937
N-(5-bromo-4-methyl-2-pyridinyl)-3-propylpyrrolidine-3-carboxamide
CID 79734821
N-[5-chloro-2-(dimethylamino)phenyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139572
N-(5-chloro-2-fluorophenyl)-3-ethylpiperidine-3-carboxamide
CID 63130400
N-(4-bromo-2-ethylphenyl)-3-propylpiperidine-3-carboxamide
CID 81287911
N-(4-chlorophenyl)-4-propylpiperidine-4-carboxamide
CID 63127290

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide (CID 81271547) is N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide is CCCC1(C(=O)Nc2cc(Cl)ccc2Br)CCNC1.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide?
The InChIKey is HVZKFNCXERNTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c1-2-5-14(6-7-17-9-14)13(19)18-12-8-10(16)3-4-11(12)15/h3-4,8,17H,2,5-7,9H2,1H3,(H,18,19).
What are the key properties of N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide?
N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide has a molecular weight of 345.67 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-3-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 81271547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).