4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide

C21H26IN3O2 — CID 54832241

IUPAC4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NCC(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C21H26IN3O2/c1-3-13-25(14-4-2)21(27)16-5-9-18(10-6-16)23-15-20(26)24-19-11-7-17(22)8-12-19/h5-12,23H,3-4,13-15H2,1-2H3,(H,24,26)
InChIKeyMQBPFDGVBOMZEG-UHFFFAOYSA-N
MW479.36 g/mol
LogP4.60
Rot. Bonds9

About 4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide

4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide (PubChem CID 54832241) has the molecular formula C21H26IN3O2 and a molecular weight of 479.36 g/mol. Its IUPAC name is 4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
PubChem CID54832241
Molecular FormulaC21H26IN3O2
Molecular Weight479.36 g/mol
Exact Mass479.11
IUPAC Name4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(NCC(=O)Nc2ccc(I)cc2)cc1
InChIInChI=1S/C21H26IN3O2/c1-3-13-25(14-4-2)21(27)16-5-9-18(10-6-16)23-15-20(26)24-19-11-7-17(22)8-12-19/h5-12,23H,3-4,13-15H2,1-2H3,(H,24,26)
InChIKeyMQBPFDGVBOMZEG-UHFFFAOYSA-N
XLogP4.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.36
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-(4-methylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54813932
N,N-diethyl-4-[[2-(4-iodoanilino)acetyl]amino]benzamide
CID 54812461
4-[[2-(4-bromoanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54811247
methyl 4-[[2-[4-(dipropylcarbamoyl)anilino]-2-oxoethyl]amino]benzoate
CID 54816864
4-[[2-oxo-2-(4-propoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832147
4-[[2-(3,4-dichloroanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832307
4-[[2-(2,6-dimethylanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54818198
4-[[2-(3-chloro-4-methylanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832242
4-[[2-[4-(2-methylpropoxy)anilino]-2-oxoethyl]amino]-N,N-dipropylbenzamide
CID 54832146
4-[[2-(4-hexoxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54820826
4-[[2-(3-propan-2-yloxyanilino)acetyl]amino]-N,N-dipropylbenzamide
CID 54830248
4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]-N,N-dipropylbenzamide
CID 54832179

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide (CID 54832241) is 4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(NCC(=O)Nc2ccc(I)cc2)cc1.
What is the InChIKey of 4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide?
The InChIKey is MQBPFDGVBOMZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26IN3O2/c1-3-13-25(14-4-2)21(27)16-5-9-18(10-6-16)23-15-20(26)24-19-11-7-17(22)8-12-19/h5-12,23H,3-4,13-15H2,1-2H3,(H,24,26).
What are the key properties of 4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide?
4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide has a molecular weight of 479.36 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-iodoanilino)-2-oxoethyl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 54832241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).