N-(2-amino-2-oxoethyl)-N-butyl-3-chloro-4-iodobenzamide

C13H16ClIN2O2 — CID 103735007

IUPACN-(2-amino-2-oxoethyl)-N-butyl-3-chloro-4-iodobenzamide
SMILESCCCCN(CC(N)=O)C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H16ClIN2O2/c1-2-3-6-17(8-12(16)18)13(19)9-4-5-11(15)10(14)7-9/h4-5,7H,2-3,6,8H2,1H3,(H2,16,18)
InChIKeyVXXRSEKXDFHPHK-UHFFFAOYSA-N
MW394.64 g/mol
LogP2.67
Rot. Bonds6

About N-(2-amino-2-oxoethyl)-N-butyl-3-chloro-4-iodobenzamide

N-(2-amino-2-oxoethyl)-N-butyl-3-chloro-4-iodobenzamide (PubChem CID 103735007) has the molecular formula C13H16ClIN2O2 and a molecular weight of 394.64 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-N-butyl-3-chloro-4-iodobenzamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-N-butyl-3-chloro-4-iodobenzamide
PubChem CID103735007
Molecular FormulaC13H16ClIN2O2
Molecular Weight394.64 g/mol
Exact Mass393.99
IUPAC NameN-(2-amino-2-oxoethyl)-N-butyl-3-chloro-4-iodobenzamide
SMILESCCCCN(CC(N)=O)C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H16ClIN2O2/c1-2-3-6-17(8-12(16)18)13(19)9-4-5-11(15)10(14)7-9/h4-5,7H,2-3,6,8H2,1H3,(H2,16,18)
InChIKeyVXXRSEKXDFHPHK-UHFFFAOYSA-N
XLogP2.67
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.64
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(3-chloro-4-iodobenzoyl)-propylamino]acetate
CID 103736240
3-amino-N-(2-amino-2-oxoethyl)-N-butyl-4-methylbenzamide
CID 60946441
3-chloro-4-iodo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 103735187
4-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide;hydrochloride
CID 119733438
N-(2-amino-2-oxoethyl)-3-bromo-N-butylbenzamide
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3-amino-N-(2-amino-2-oxoethyl)-N-butylbenzamide
CID 54906297
3-chloro-4-iodo-N-methyl-N-propylbenzamide
CID 103736028
3-chloro-4-iodo-N-prop-2-enyl-N-propylbenzamide
CID 103222178
2-amino-N-(2-amino-2-oxoethyl)-N-butyl-6-chlorobenzamide
CID 63658073
4-bromo-N-butyl-3-chloro-N-(2-hydroxyethyl)benzamide
CID 81295569
3-chloro-N-decyl-4-iodobenzamide
CID 103222152
N-(2-amino-2-oxoethyl)-N-butyl-2-hydroxybenzamide
CID 54942284

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-3-chloro-4-iodobenzamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-N-butyl-3-chloro-4-iodobenzamide (CID 103735007) is N-(2-amino-2-oxoethyl)-N-butyl-3-chloro-4-iodobenzamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-N-butyl-3-chloro-4-iodobenzamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-N-butyl-3-chloro-4-iodobenzamide is CCCCN(CC(N)=O)C(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-N-butyl-3-chloro-4-iodobenzamide?
The InChIKey is VXXRSEKXDFHPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClIN2O2/c1-2-3-6-17(8-12(16)18)13(19)9-4-5-11(15)10(14)7-9/h4-5,7H,2-3,6,8H2,1H3,(H2,16,18).
What are the key properties of N-(2-amino-2-oxoethyl)-N-butyl-3-chloro-4-iodobenzamide?
N-(2-amino-2-oxoethyl)-N-butyl-3-chloro-4-iodobenzamide has a molecular weight of 394.64 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-N-butyl-3-chloro-4-iodobenzamide is sourced from PubChem (CID 103735007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).