4-iodo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide

C17H22INO — CID 60629735

IUPAC4-iodo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)c1ccc(I)cc1)C2
InChIInChI=1S/C17H22INO/c1-16(2)12-8-9-17(16,3)14(10-12)19-15(20)11-4-6-13(18)7-5-11/h4-7,12,14H,8-10H2,1-3H3,(H,19,20)
InChIKeyLZPMDVIKZZJAAD-UHFFFAOYSA-N
MW383.27 g/mol
LogP4.24
Rot. Bonds2

About 4-iodo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide

4-iodo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide (PubChem CID 60629735) has the molecular formula C17H22INO and a molecular weight of 383.27 g/mol. Its IUPAC name is 4-iodo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide.

Molecular Properties

Compound Name4-iodo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
PubChem CID60629735
Molecular FormulaC17H22INO
Molecular Weight383.27 g/mol
Exact Mass383.07
IUPAC Name4-iodo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
SMILESCC1(C)C2CCC1(C)C(NC(=O)c1ccc(I)cc1)C2
InChIInChI=1S/C17H22INO/c1-16(2)12-8-9-17(16,3)14(10-12)19-15(20)11-4-6-13(18)7-5-11/h4-7,12,14H,8-10H2,1-3H3,(H,19,20)
InChIKeyLZPMDVIKZZJAAD-UHFFFAOYSA-N
XLogP4.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-N-[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 892493
4-(dimethylsulfamoyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 55335277
4-(difluoromethylsulfonyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 55335313
3-bromo-4-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 107951700
4-pyrazol-1-yl-N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 98641400
5-bromo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)thiophene-3-carboxamide
CID 55026651
N-[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1H-indole-6-carboxamide
CID 98785961
(1S,4R,7S,10S)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]tricyclo[5.2.1.04,10]deca-2,5,8-triene-2-carboxamide
CID 98555724
1-[(4-cyanobenzoyl)amino]-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
CID 49124609
N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]quinoxaline-2-carboxamide
CID 22956895
3-[(2-fluorobenzoyl)amino]-4-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide
CID 55687433
3-methyl-4-(tetrazol-1-yl)-N-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
CID 100851579

Frequently Asked Questions

What is the IUPAC name of 4-iodo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
The IUPAC name of 4-iodo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide (CID 60629735) is 4-iodo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide.
What is the SMILES notation for 4-iodo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
The canonical SMILES for 4-iodo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide is CC1(C)C2CCC1(C)C(NC(=O)c1ccc(I)cc1)C2.
What is the InChIKey of 4-iodo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
The InChIKey is LZPMDVIKZZJAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22INO/c1-16(2)12-8-9-17(16,3)14(10-12)19-15(20)11-4-6-13(18)7-5-11/h4-7,12,14H,8-10H2,1-3H3,(H,19,20).
What are the key properties of 4-iodo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide?
4-iodo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide has a molecular weight of 383.27 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzamide is sourced from PubChem (CID 60629735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).