N-butyl-4-chloro-2-iodobenzamide

C11H13ClINO — CID 172647444

IUPACN-butyl-4-chloro-2-iodobenzamide
SMILESCCCCNC(=O)c1ccc(Cl)cc1I
InChIInChI=1S/C11H13ClINO/c1-2-3-6-14-11(15)9-5-4-8(12)7-10(9)13/h4-5,7H,2-3,6H2,1H3,(H,14,15)
InChIKeyBVBZYCKADJCHLH-UHFFFAOYSA-N
MW337.59 g/mol
LogP3.47
Rot. Bonds4

About N-butyl-4-chloro-2-iodobenzamide

N-butyl-4-chloro-2-iodobenzamide (PubChem CID 172647444) has the molecular formula C11H13ClINO and a molecular weight of 337.59 g/mol. Its IUPAC name is N-butyl-4-chloro-2-iodobenzamide.

Molecular Properties

Compound NameN-butyl-4-chloro-2-iodobenzamide
PubChem CID172647444
Molecular FormulaC11H13ClINO
Molecular Weight337.59 g/mol
Exact Mass336.97
IUPAC NameN-butyl-4-chloro-2-iodobenzamide
SMILESCCCCNC(=O)c1ccc(Cl)cc1I
InChIInChI=1S/C11H13ClINO/c1-2-3-6-14-11(15)9-5-4-8(12)7-10(9)13/h4-5,7H,2-3,6H2,1H3,(H,14,15)
InChIKeyBVBZYCKADJCHLH-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.59
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

sodium;N-butyl-4-chloro-2-hydroxybenzamide;hydride
CID 174574548
2,4-dichloro-N-nonylbenzamide
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4-chloro-2-iodo-N-[3-(N-methylanilino)propyl]benzamide
CID 39704149
N-butyl-5-chloro-2-hydrazinylbenzamide
CID 62238150
N-[2-(butylcarbamoyl)phenyl]-2,4-dichlorobenzamide
CID 17256470
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
N-[2-[[2-(butylamino)-2-oxoethyl]amino]-2-oxoethyl]-2,4-dichlorobenzamide
CID 36930188
4,6-dibromo-1-N,3-N-dibutylbenzene-1,3-dicarboxamide
CID 57338151
5-chloro-N-(5-hydroxypentyl)-2-iodobenzamide
CID 107342948
5-chloro-N-hexyl-2-methoxybenzamide
CID 4106403
1-N-butyl-4-N-(2,4-dichlorophenyl)benzene-1,4-dicarboxamide
CID 109043816
N-[2-(4-chlorophenoxy)ethyl]-2-iodo-4-methylbenzamide
CID 100527523

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-chloro-2-iodobenzamide?
The IUPAC name of N-butyl-4-chloro-2-iodobenzamide (CID 172647444) is N-butyl-4-chloro-2-iodobenzamide.
What is the SMILES notation for N-butyl-4-chloro-2-iodobenzamide?
The canonical SMILES for N-butyl-4-chloro-2-iodobenzamide is CCCCNC(=O)c1ccc(Cl)cc1I.
What is the InChIKey of N-butyl-4-chloro-2-iodobenzamide?
The InChIKey is BVBZYCKADJCHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClINO/c1-2-3-6-14-11(15)9-5-4-8(12)7-10(9)13/h4-5,7H,2-3,6H2,1H3,(H,14,15).
What are the key properties of N-butyl-4-chloro-2-iodobenzamide?
N-butyl-4-chloro-2-iodobenzamide has a molecular weight of 337.59 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-chloro-2-iodobenzamide is sourced from PubChem (CID 172647444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).