N-(3-aminobutyl)-2-chloro-4-iodobenzamide

C11H14ClIN2O — CID 119496465

IUPACN-(3-aminobutyl)-2-chloro-4-iodobenzamide
SMILESCC(N)CCNC(=O)c1ccc(I)cc1Cl
InChIInChI=1S/C11H14ClIN2O/c1-7(14)4-5-15-11(16)9-3-2-8(13)6-10(9)12/h2-3,6-7H,4-5,14H2,1H3,(H,15,16)
InChIKeyGYNZPTURZSAWLC-UHFFFAOYSA-N
MW352.60 g/mol
LogP2.41
Rot. Bonds4

About N-(3-aminobutyl)-2-chloro-4-iodobenzamide

N-(3-aminobutyl)-2-chloro-4-iodobenzamide (PubChem CID 119496465) has the molecular formula C11H14ClIN2O and a molecular weight of 352.60 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-chloro-4-iodobenzamide.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-chloro-4-iodobenzamide
PubChem CID119496465
Molecular FormulaC11H14ClIN2O
Molecular Weight352.60 g/mol
Exact Mass351.98
IUPAC NameN-(3-aminobutyl)-2-chloro-4-iodobenzamide
SMILESCC(N)CCNC(=O)c1ccc(I)cc1Cl
InChIInChI=1S/C11H14ClIN2O/c1-7(14)4-5-15-11(16)9-3-2-8(13)6-10(9)12/h2-3,6-7H,4-5,14H2,1H3,(H,15,16)
InChIKeyGYNZPTURZSAWLC-UHFFFAOYSA-N
XLogP2.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.60
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-aminobutyl)-2-chloro-4-iodobenzamide 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-(3-aminobutyl)-2-chloro-4-fluorobenzamide
CID 63254096
N-(3-aminopropyl)-2-chloro-4-iodobenzamide;hydrochloride
CID 119406253
N-(3-aminobutyl)-2-chloro-5-fluoro-4-methylbenzamide
CID 117044369
2-chloro-N-[2-(ethylamino)ethyl]-4-iodobenzamide;hydrochloride
CID 119506272
2-[(2-chloro-4-iodobenzoyl)amino]ethanesulfonic acid
CID 159492344
N-(1-amino-4-methylpentan-2-yl)-2-chloro-4-iodobenzamide
CID 119586604
4-amino-2-chloro-N-(3-methylsulfanylbutyl)benzamide
CID 115739020
N-(3-aminobutyl)-2,4-dimethylbenzamide
CID 63254051
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
N-(3-aminobutyl)-2-iodo-3-methylbenzamide
CID 103806260
N-(3-aminobutyl)-3,5-dichlorobenzamide
CID 63253948
N-(2-aminopropyl)-2-chloro-4-methylbenzamide
CID 106862152

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-chloro-4-iodobenzamide?
The IUPAC name of N-(3-aminobutyl)-2-chloro-4-iodobenzamide (CID 119496465) is N-(3-aminobutyl)-2-chloro-4-iodobenzamide.
What is the SMILES notation for N-(3-aminobutyl)-2-chloro-4-iodobenzamide?
The canonical SMILES for N-(3-aminobutyl)-2-chloro-4-iodobenzamide is CC(N)CCNC(=O)c1ccc(I)cc1Cl.
What is the InChIKey of N-(3-aminobutyl)-2-chloro-4-iodobenzamide?
The InChIKey is GYNZPTURZSAWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClIN2O/c1-7(14)4-5-15-11(16)9-3-2-8(13)6-10(9)12/h2-3,6-7H,4-5,14H2,1H3,(H,15,16).
What are the key properties of N-(3-aminobutyl)-2-chloro-4-iodobenzamide?
N-(3-aminobutyl)-2-chloro-4-iodobenzamide has a molecular weight of 352.60 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-chloro-4-iodobenzamide is sourced from PubChem (CID 119496465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).