3-chloro-4-iodo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide

C13H16ClIN2O2 — CID 103735187

IUPAC3-chloro-4-iodo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)NC)C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H16ClIN2O2/c1-3-6-17(8-12(18)16-2)13(19)9-4-5-11(15)10(14)7-9/h4-5,7H,3,6,8H2,1-2H3,(H,16,18)
InChIKeyVWVSIWBMRRGHAC-UHFFFAOYSA-N
MW394.64 g/mol
LogP2.54
Rot. Bonds5

About 3-chloro-4-iodo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide

3-chloro-4-iodo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide (PubChem CID 103735187) has the molecular formula C13H16ClIN2O2 and a molecular weight of 394.64 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
PubChem CID103735187
Molecular FormulaC13H16ClIN2O2
Molecular Weight394.64 g/mol
Exact Mass393.99
IUPAC Name3-chloro-4-iodo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
SMILESCCCN(CC(=O)NC)C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H16ClIN2O2/c1-3-6-17(8-12(18)16-2)13(19)9-4-5-11(15)10(14)7-9/h4-5,7H,3,6,8H2,1-2H3,(H,16,18)
InChIKeyVWVSIWBMRRGHAC-UHFFFAOYSA-N
XLogP2.54
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.64
LogP ≤ 52.54
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

4-amino-3,5-dichloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 82833354
ethyl 2-[(3-chloro-4-iodobenzoyl)-propylamino]acetate
CID 103736240
3-chloro-4-iodo-N-prop-2-enyl-N-propylbenzamide
CID 103222178
3-chloro-4-iodo-N-methyl-N-propylbenzamide
CID 103736028
N-(2-amino-2-oxoethyl)-N-butyl-3-chloro-4-iodobenzamide
CID 103735007
3-(chloromethyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 54916209
N-[2-(methylamino)-2-oxoethyl]-N-propyl-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614789
3-bromo-4-methoxy-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 61040728
3-(N'-hydroxycarbamimidoyl)-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 76910215
2-[(3-chloro-4-fluorobenzoyl)-propylamino]acetic acid
CID 82875631
2-amino-5-chloro-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 61138545
4-(3-aminoprop-1-ynyl)-3-chloro-N-ethyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 81294763

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide?
The IUPAC name of 3-chloro-4-iodo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide (CID 103735187) is 3-chloro-4-iodo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide?
The canonical SMILES for 3-chloro-4-iodo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide is CCCN(CC(=O)NC)C(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-4-iodo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide?
The InChIKey is VWVSIWBMRRGHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClIN2O2/c1-3-6-17(8-12(18)16-2)13(19)9-4-5-11(15)10(14)7-9/h4-5,7H,3,6,8H2,1-2H3,(H,16,18).
What are the key properties of 3-chloro-4-iodo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide?
3-chloro-4-iodo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide has a molecular weight of 394.64 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide is sourced from PubChem (CID 103735187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).