N-(3-aminopropyl)-2-chloro-4-iodobenzamide;hydrochloride

C10H13Cl2IN2O — CID 119406253

IUPACN-(3-aminopropyl)-2-chloro-4-iodobenzamide;hydrochloride
SMILESCl.NCCCNC(=O)c1ccc(I)cc1Cl
InChIInChI=1S/C10H12ClIN2O.ClH/c11-9-6-7(12)2-3-8(9)10(15)14-5-1-4-13;/h2-3,6H,1,4-5,13H2,(H,14,15);1H
InChIKeyANCICMODBQLWQW-UHFFFAOYSA-N
MW375.04 g/mol
LogP2.44
Rot. Bonds4

About N-(3-aminopropyl)-2-chloro-4-iodobenzamide;hydrochloride

N-(3-aminopropyl)-2-chloro-4-iodobenzamide;hydrochloride (PubChem CID 119406253) has the molecular formula C10H13Cl2IN2O and a molecular weight of 375.04 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-chloro-4-iodobenzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-chloro-4-iodobenzamide;hydrochloride
PubChem CID119406253
Molecular FormulaC10H13Cl2IN2O
Molecular Weight375.04 g/mol
Exact Mass373.94
IUPAC NameN-(3-aminopropyl)-2-chloro-4-iodobenzamide;hydrochloride
SMILESCl.NCCCNC(=O)c1ccc(I)cc1Cl
InChIInChI=1S/C10H12ClIN2O.ClH/c11-9-6-7(12)2-3-8(9)10(15)14-5-1-4-13;/h2-3,6H,1,4-5,13H2,(H,14,15);1H
InChIKeyANCICMODBQLWQW-UHFFFAOYSA-N
XLogP2.44
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.04
LogP ≤ 52.44
H-Bond Donors ≤ 52
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

N-(3-aminopropyl)-2-chloro-4-nitrobenzamide;hydrochloride
CID 119405869
2-chloro-N-[2-(ethylamino)ethyl]-4-iodobenzamide;hydrochloride
CID 119506272
N-(3-aminobutyl)-2-chloro-4-iodobenzamide
CID 119496465
N-(3-aminopropyl)-2-chloro-4,5-difluorobenzamide;hydrochloride
CID 119407529
2-[(2-chloro-4-iodobenzoyl)amino]ethanesulfonic acid
CID 159492344
N-(3-aminopropyl)-4-chloro-2-fluorobenzamide;hydrochloride
CID 119405370
N-(3-aminopropyl)-5-bromo-2-chlorobenzamide
CID 43378819
N-(3-aminopropyl)-5-chloro-2-methylbenzamide
CID 82883577
N-(3-aminopropyl)-3-iodobenzamide
CID 28978873
2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-iodobenzamide;hydrochloride
CID 120944879
4-amino-2-chloro-N-(3-hydroxypropyl)benzamide
CID 43167675
N-(3-aminopropyl)-2,4-dichloro-5-methylsulfanylbenzamide
CID 119406414

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-chloro-4-iodobenzamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-2-chloro-4-iodobenzamide;hydrochloride (CID 119406253) is N-(3-aminopropyl)-2-chloro-4-iodobenzamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-2-chloro-4-iodobenzamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-2-chloro-4-iodobenzamide;hydrochloride is Cl.NCCCNC(=O)c1ccc(I)cc1Cl.
What is the InChIKey of N-(3-aminopropyl)-2-chloro-4-iodobenzamide;hydrochloride?
The InChIKey is ANCICMODBQLWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClIN2O.ClH/c11-9-6-7(12)2-3-8(9)10(15)14-5-1-4-13;/h2-3,6H,1,4-5,13H2,(H,14,15);1H.
What are the key properties of N-(3-aminopropyl)-2-chloro-4-iodobenzamide;hydrochloride?
N-(3-aminopropyl)-2-chloro-4-iodobenzamide;hydrochloride has a molecular weight of 375.04 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-chloro-4-iodobenzamide;hydrochloride is sourced from PubChem (CID 119406253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).