2-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-iodobenzamide

C14H15BrINO — CID 113364301

IUPAC2-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-iodobenzamide
SMILESO=C(c1cc(I)ccc1Br)N(CC1CC1)C1CC1
InChIInChI=1S/C14H15BrINO/c15-13-6-3-10(16)7-12(13)14(18)17(11-4-5-11)8-9-1-2-9/h3,6-7,9,11H,1-2,4-5,8H2
InChIKeyJRGWXDDRJSCBLZ-UHFFFAOYSA-N
MW420.09 g/mol
LogP4.07
Rot. Bonds4

About 2-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-iodobenzamide

2-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-iodobenzamide (PubChem CID 113364301) has the molecular formula C14H15BrINO and a molecular weight of 420.09 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-iodobenzamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-iodobenzamide
PubChem CID113364301
Molecular FormulaC14H15BrINO
Molecular Weight420.09 g/mol
Exact Mass418.94
IUPAC Name2-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-iodobenzamide
SMILESO=C(c1cc(I)ccc1Br)N(CC1CC1)C1CC1
InChIInChI=1S/C14H15BrINO/c15-13-6-3-10(16)7-12(13)14(18)17(11-4-5-11)8-9-1-2-9/h3,6-7,9,11H,1-2,4-5,8H2
InChIKeyJRGWXDDRJSCBLZ-UHFFFAOYSA-N
XLogP4.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.09
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-cyclobutyl-N-(2-hydroxyethyl)-5-iodobenzamide
CID 102684421
2-bromo-N-cyclopropyl-5-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 81111905
2,5-dibromo-N-cyclopropyl-N-(piperidin-3-ylmethyl)benzamide
CID 106628749
2-bromo-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide
CID 114027530
2-amino-5-bromo-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-4-carboxamide
CID 114193974
2-amino-4-bromo-N-cyclopropyl-N-(cyclopropylmethyl)benzamide
CID 79723311
2-bromo-N-[(3-hydroxycyclobutyl)methyl]-5-iodo-N-methylbenzamide
CID 102808059
2-bromo-N-[(3-bromocyclobutyl)methyl]-5-iodo-N-methylbenzamide
CID 114026531
2-bromo-N,N-bis(cyclopropylmethyl)-5-methylbenzamide
CID 81002456
N-cyclopropyl-N-(cyclopropylmethyl)-2,5-dihydroxybenzamide
CID 107723158
2-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide
CID 60956169
5-amino-N-cyclopropyl-N-(cyclopropylmethyl)-2,4-dimethylbenzamide
CID 102705640

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-iodobenzamide?
The IUPAC name of 2-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-iodobenzamide (CID 113364301) is 2-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-iodobenzamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-iodobenzamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-iodobenzamide is O=C(c1cc(I)ccc1Br)N(CC1CC1)C1CC1.
What is the InChIKey of 2-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-iodobenzamide?
The InChIKey is JRGWXDDRJSCBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrINO/c15-13-6-3-10(16)7-12(13)14(18)17(11-4-5-11)8-9-1-2-9/h3,6-7,9,11H,1-2,4-5,8H2.
What are the key properties of 2-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-iodobenzamide?
2-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-iodobenzamide has a molecular weight of 420.09 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-N-(cyclopropylmethyl)-5-iodobenzamide is sourced from PubChem (CID 113364301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).