3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide

C13H16ClIN2O — CID 103734735

IUPAC3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCC1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H16ClIN2O/c14-11-9-10(3-4-12(11)15)13(18)16-5-8-17-6-1-2-7-17/h3-4,9H,1-2,5-8H2,(H,16,18)
InChIKeyFUMFWSJXXGRECV-UHFFFAOYSA-N
MW378.64 g/mol
LogP2.77
Rot. Bonds4

About 3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide

3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide (PubChem CID 103734735) has the molecular formula C13H16ClIN2O and a molecular weight of 378.64 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
PubChem CID103734735
Molecular FormulaC13H16ClIN2O
Molecular Weight378.64 g/mol
Exact Mass378.00
IUPAC Name3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
SMILESO=C(NCCN1CCCC1)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H16ClIN2O/c14-11-9-10(3-4-12(11)15)13(18)16-5-8-17-6-1-2-7-17/h3-4,9H,1-2,5-8H2,(H,16,18)
InChIKeyFUMFWSJXXGRECV-UHFFFAOYSA-N
XLogP2.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.64
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide 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-chloro-4-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119448751
3-hydroxy-4-iodo-N-(2-piperidin-1-ylethyl)benzamide
CID 104627715
3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 103734648
3-chloro-4-iodo-N-(2-pyrrol-1-ylethyl)benzamide
CID 103737073
3-chloro-4-nitro-N-(2-piperidin-1-ylethyl)benzamide
CID 82778500
4-chloro-N-(2-piperidin-1-ylethyl)-3-piperidin-1-ylsulfonylbenzamide
CID 55723998
3-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 60682573
3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 10452834
4-chloro-3-iodo-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119449000
3-chloro-N-(2-piperidin-1-ylethyl)benzamide
CID 4581034
3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 103841452
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide?
The IUPAC name of 3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide (CID 103734735) is 3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide?
The canonical SMILES for 3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide is O=C(NCCN1CCCC1)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide?
The InChIKey is FUMFWSJXXGRECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClIN2O/c14-11-9-10(3-4-12(11)15)13(18)16-5-8-17-6-1-2-7-17/h3-4,9H,1-2,5-8H2,(H,16,18).
What are the key properties of 3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide?
3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide has a molecular weight of 378.64 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide is sourced from PubChem (CID 103734735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).