3-chloro-4-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide

C13H16ClIN2O2 — CID 103734931

IUPAC3-chloro-4-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
SMILESCC(C)NC(=O)CCNC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H16ClIN2O2/c1-8(2)17-12(18)5-6-16-13(19)9-3-4-11(15)10(14)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyWDHKEUWZEWRAQT-UHFFFAOYSA-N
MW394.64 g/mol
LogP2.59
Rot. Bonds5

About 3-chloro-4-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide

3-chloro-4-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide (PubChem CID 103734931) has the molecular formula C13H16ClIN2O2 and a molecular weight of 394.64 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
PubChem CID103734931
Molecular FormulaC13H16ClIN2O2
Molecular Weight394.64 g/mol
Exact Mass393.99
IUPAC Name3-chloro-4-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
SMILESCC(C)NC(=O)CCNC(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H16ClIN2O2/c1-8(2)17-12(18)5-6-16-13(19)9-3-4-11(15)10(14)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyWDHKEUWZEWRAQT-UHFFFAOYSA-N
XLogP2.59
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.64
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-4-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]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-N-(3-hydroxybutyl)-4-iodobenzamide
CID 103736317
3-chloro-N-[(2R)-2-hydroxypropyl]-4-iodobenzamide
CID 103884729
3-chloro-4-iodo-N-(3-iodopropyl)benzamide
CID 103212807
N-[3-(butan-2-ylamino)-3-oxopropyl]-3-hydroxy-4-iodobenzamide
CID 104627763
3-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoyl]benzoic acid
CID 115596261
3-chloro-N-decyl-4-iodobenzamide
CID 103222152
3-chloro-N-(4-hydroxybutyl)-4-iodobenzamide
CID 106842281
N-[3-oxo-3-(propan-2-ylamino)propyl]-4-propan-2-ylsulfonylbenzamide
CID 51089057
N-[3-oxo-3-(propan-2-ylamino)propyl]-3-sulfanylbenzamide
CID 107034658
3-chloro-4-iodo-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829252
2-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 47165784
3-chloro-4-iodo-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 103734735

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The IUPAC name of 3-chloro-4-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide (CID 103734931) is 3-chloro-4-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The canonical SMILES for 3-chloro-4-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide is CC(C)NC(=O)CCNC(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-4-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
The InChIKey is WDHKEUWZEWRAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClIN2O2/c1-8(2)17-12(18)5-6-16-13(19)9-3-4-11(15)10(14)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 3-chloro-4-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide?
3-chloro-4-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide has a molecular weight of 394.64 g/mol, XLogP of 2.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide is sourced from PubChem (CID 103734931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).