5-bromo-N-(cyclopropylmethyl)-2-iodo-N-propan-2-ylbenzamide

C14H17BrINO — CID 113224070

IUPAC5-bromo-N-(cyclopropylmethyl)-2-iodo-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CC1)C(=O)c1cc(Br)ccc1I
InChIInChI=1S/C14H17BrINO/c1-9(2)17(8-10-3-4-10)14(18)12-7-11(15)5-6-13(12)16/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyPQQDBSNPEJDUIY-UHFFFAOYSA-N
MW422.10 g/mol
LogP4.31
Rot. Bonds4

About 5-bromo-N-(cyclopropylmethyl)-2-iodo-N-propan-2-ylbenzamide

5-bromo-N-(cyclopropylmethyl)-2-iodo-N-propan-2-ylbenzamide (PubChem CID 113224070) has the molecular formula C14H17BrINO and a molecular weight of 422.10 g/mol. Its IUPAC name is 5-bromo-N-(cyclopropylmethyl)-2-iodo-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(cyclopropylmethyl)-2-iodo-N-propan-2-ylbenzamide
PubChem CID113224070
Molecular FormulaC14H17BrINO
Molecular Weight422.10 g/mol
Exact Mass420.95
IUPAC Name5-bromo-N-(cyclopropylmethyl)-2-iodo-N-propan-2-ylbenzamide
SMILESCC(C)N(CC1CC1)C(=O)c1cc(Br)ccc1I
InChIInChI=1S/C14H17BrINO/c1-9(2)17(8-10-3-4-10)14(18)12-7-11(15)5-6-13(12)16/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyPQQDBSNPEJDUIY-UHFFFAOYSA-N
XLogP4.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.10
LogP ≤ 54.31
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-amino-4-bromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 79722133
5-bromo-N-(2-hydroxyethyl)-2-iodo-N-propan-2-ylbenzamide
CID 43573631
5-bromo-2-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylbenzamide
CID 79702221
3,5-dibromo-N-(cyclopropylmethyl)-N-propan-2-ylbenzamide
CID 103907777
5-bromo-2-[[cyclopropylmethyl(propan-2-yl)carbamoyl]amino]benzoic acid
CID 62073503
3-bromo-N-(cyclopropylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 60783055
5-bromo-N-(cyclopropylmethyl)-2-hydrazinyl-N-propan-2-ylpyridine-3-carboxamide
CID 62241299
4-chloro-N-(cyclopropylmethyl)-2-hydroxy-N-propan-2-ylbenzamide
CID 54945824
5-amino-N-(cyclopropylmethyl)-2-fluoro-N-propan-2-ylbenzamide
CID 55001664
N-(cyclopropylmethyl)-3-hydroxy-2-methyl-N-propan-2-ylbenzamide
CID 82829027
2-[(5-bromo-2-iodobenzoyl)-cyclopropylamino]acetic acid
CID 54945887
N-(cyclopropylmethyl)-2-hydroxy-5-methoxy-N-propan-2-ylbenzamide
CID 54945861

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclopropylmethyl)-2-iodo-N-propan-2-ylbenzamide?
The IUPAC name of 5-bromo-N-(cyclopropylmethyl)-2-iodo-N-propan-2-ylbenzamide (CID 113224070) is 5-bromo-N-(cyclopropylmethyl)-2-iodo-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-bromo-N-(cyclopropylmethyl)-2-iodo-N-propan-2-ylbenzamide?
The canonical SMILES for 5-bromo-N-(cyclopropylmethyl)-2-iodo-N-propan-2-ylbenzamide is CC(C)N(CC1CC1)C(=O)c1cc(Br)ccc1I.
What is the InChIKey of 5-bromo-N-(cyclopropylmethyl)-2-iodo-N-propan-2-ylbenzamide?
The InChIKey is PQQDBSNPEJDUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrINO/c1-9(2)17(8-10-3-4-10)14(18)12-7-11(15)5-6-13(12)16/h5-7,9-10H,3-4,8H2,1-2H3.
What are the key properties of 5-bromo-N-(cyclopropylmethyl)-2-iodo-N-propan-2-ylbenzamide?
5-bromo-N-(cyclopropylmethyl)-2-iodo-N-propan-2-ylbenzamide has a molecular weight of 422.10 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclopropylmethyl)-2-iodo-N-propan-2-ylbenzamide is sourced from PubChem (CID 113224070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).