3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

C14H16ClIN2O2 — CID 103734648

IUPAC3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H16ClIN2O2/c15-11-9-10(4-5-12(11)16)14(20)17-6-2-8-18-7-1-3-13(18)19/h4-5,9H,1-3,6-8H2,(H,17,20)
InChIKeyDJYHIPIDUDNRDL-UHFFFAOYSA-N
MW406.65 g/mol
LogP2.69
Rot. Bonds5

About 3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (PubChem CID 103734648) has the molecular formula C14H16ClIN2O2 and a molecular weight of 406.65 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
PubChem CID103734648
Molecular FormulaC14H16ClIN2O2
Molecular Weight406.65 g/mol
Exact Mass405.99
IUPAC Name3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C14H16ClIN2O2/c15-11-9-10(4-5-12(11)16)14(20)17-6-2-8-18-7-1-3-13(18)19/h4-5,9H,1-3,6-8H2,(H,17,20)
InChIKeyDJYHIPIDUDNRDL-UHFFFAOYSA-N
XLogP2.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.65
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802534
5,6-dichloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 60635904
3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 103734735
3-chloro-4-fluoro-N-[2-(2-oxopyrrolidin-1-yl)ethyl]benzamide
CID 90650238
4-(dimethylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 4789496
4-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
CID 18161251
3-chloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 46537539
6-methoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]naphthalene-2-carboxamide
CID 24949519
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
3,5-dichloro-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802475
3-amino-4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 89388512
3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 30482762

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The IUPAC name of 3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide (CID 103734648) is 3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The canonical SMILES for 3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is O=C(NCCCN1CCCC1=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
The InChIKey is DJYHIPIDUDNRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClIN2O2/c15-11-9-10(4-5-12(11)16)14(20)17-6-2-8-18-7-1-3-13(18)19/h4-5,9H,1-3,6-8H2,(H,17,20).
What are the key properties of 3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide?
3-chloro-4-iodo-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide has a molecular weight of 406.65 g/mol, XLogP of 2.69, 5 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-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide is sourced from PubChem (CID 103734648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).