3-chloro-4-iodo-N-prop-2-enyl-N-propylbenzamide

C13H15ClINO — CID 103222178

IUPAC3-chloro-4-iodo-N-prop-2-enyl-N-propylbenzamide
SMILESC=CCN(CCC)C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H15ClINO/c1-3-7-16(8-4-2)13(17)10-5-6-12(15)11(14)9-10/h3,5-6,9H,1,4,7-8H2,2H3
InChIKeyOWBWRVXUZCUAOE-UHFFFAOYSA-N
MW363.63 g/mol
LogP3.98
Rot. Bonds5

About 3-chloro-4-iodo-N-prop-2-enyl-N-propylbenzamide

3-chloro-4-iodo-N-prop-2-enyl-N-propylbenzamide (PubChem CID 103222178) has the molecular formula C13H15ClINO and a molecular weight of 363.63 g/mol. Its IUPAC name is 3-chloro-4-iodo-N-prop-2-enyl-N-propylbenzamide.

Molecular Properties

Compound Name3-chloro-4-iodo-N-prop-2-enyl-N-propylbenzamide
PubChem CID103222178
Molecular FormulaC13H15ClINO
Molecular Weight363.63 g/mol
Exact Mass362.99
IUPAC Name3-chloro-4-iodo-N-prop-2-enyl-N-propylbenzamide
SMILESC=CCN(CCC)C(=O)c1ccc(I)c(Cl)c1
InChIInChI=1S/C13H15ClINO/c1-3-7-16(8-4-2)13(17)10-5-6-12(15)11(14)9-10/h3,5-6,9H,1,4,7-8H2,2H3
InChIKeyOWBWRVXUZCUAOE-UHFFFAOYSA-N
XLogP3.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.63
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-iodo-N-methyl-N-propylbenzamide
CID 103736028
3-chloro-4-iodo-N-[2-(methylamino)-2-oxoethyl]-N-propylbenzamide
CID 103735187
ethyl 2-[(3-chloro-4-iodobenzoyl)-propylamino]acetate
CID 103736240
4-(bromomethyl)-N-prop-2-enyl-N-propylbenzamide
CID 102851967
N-(2-amino-2-oxoethyl)-N-butyl-3-chloro-4-iodobenzamide
CID 103735007
2,5-dichloro-N-prop-2-enyl-N-propylpyridine-4-carboxamide
CID 114918763
2-bromo-4-chloro-N-prop-2-enyl-N-propylbenzamide
CID 107988333
3-chloro-4-nitro-N,N-bis(prop-2-enyl)benzamide
CID 82781671
N-(2-hydroxyethyl)-4-iodo-N-prop-2-enylbenzamide
CID 115776140
2-[(4-bromo-3-chlorobenzoyl)-prop-2-enylamino]acetic acid
CID 81290807
sodium;methyl 3-[prop-2-enyl(propyl)carbamoyl]benzoate;3-[prop-2-enyl(propyl)carbamoyl]benzoic acid;hydroxide
CID 161476314
4-(diethylamino)-N-(2-hydroxyethyl)-N-prop-2-enylbenzamide
CID 115924108

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-iodo-N-prop-2-enyl-N-propylbenzamide?
The IUPAC name of 3-chloro-4-iodo-N-prop-2-enyl-N-propylbenzamide (CID 103222178) is 3-chloro-4-iodo-N-prop-2-enyl-N-propylbenzamide.
What is the SMILES notation for 3-chloro-4-iodo-N-prop-2-enyl-N-propylbenzamide?
The canonical SMILES for 3-chloro-4-iodo-N-prop-2-enyl-N-propylbenzamide is C=CCN(CCC)C(=O)c1ccc(I)c(Cl)c1.
What is the InChIKey of 3-chloro-4-iodo-N-prop-2-enyl-N-propylbenzamide?
The InChIKey is OWBWRVXUZCUAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClINO/c1-3-7-16(8-4-2)13(17)10-5-6-12(15)11(14)9-10/h3,5-6,9H,1,4,7-8H2,2H3.
What are the key properties of 3-chloro-4-iodo-N-prop-2-enyl-N-propylbenzamide?
3-chloro-4-iodo-N-prop-2-enyl-N-propylbenzamide has a molecular weight of 363.63 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-iodo-N-prop-2-enyl-N-propylbenzamide is sourced from PubChem (CID 103222178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).