N-[(1R,2R,3R,4R)-3-benzamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide

C24H28N2O2 — CID 100805840

IUPACN-[(1R,2R,3R,4R)-3-benzamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccccc1)[C@@H]2NC(=O)c1ccccc1
InChIInChI=1S/C24H28N2O2/c1-23(2)18-14-15-24(23,3)20(26-22(28)17-12-8-5-9-13-17)19(18)25-21(27)16-10-6-4-7-11-16/h4-13,18-20H,14-15H2,1-3H3,(H,25,27)(H,26,28)/t18-,19+,20-,24-/m0/s1
InChIKeyRVXBNSBZNVTNRD-VKDGWMQASA-N
MW376.50 g/mol
LogP4.04
Rot. Bonds4

About N-[(1R,2R,3R,4R)-3-benzamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide

N-[(1R,2R,3R,4R)-3-benzamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide (PubChem CID 100805840) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[(1R,2R,3R,4R)-3-benzamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide.

Molecular Properties

Compound NameN-[(1R,2R,3R,4R)-3-benzamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
PubChem CID100805840
Molecular FormulaC24H28N2O2
Molecular Weight376.50 g/mol
Exact Mass376.22
IUPAC NameN-[(1R,2R,3R,4R)-3-benzamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccccc1)[C@@H]2NC(=O)c1ccccc1
InChIInChI=1S/C24H28N2O2/c1-23(2)18-14-15-24(23,3)20(26-22(28)17-12-8-5-9-13-17)19(18)25-21(27)16-10-6-4-7-11-16/h4-13,18-20H,14-15H2,1-3H3,(H,25,27)(H,26,28)/t18-,19+,20-,24-/m0/s1
InChIKeyRVXBNSBZNVTNRD-VKDGWMQASA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1R,2R,3R,4R)-3-benzamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,3R,4R)-3-benzamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide?
The IUPAC name of N-[(1R,2R,3R,4R)-3-benzamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide (CID 100805840) is N-[(1R,2R,3R,4R)-3-benzamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide.
What is the SMILES notation for N-[(1R,2R,3R,4R)-3-benzamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide?
The canonical SMILES for N-[(1R,2R,3R,4R)-3-benzamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide is CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccccc1)[C@@H]2NC(=O)c1ccccc1.
What is the InChIKey of N-[(1R,2R,3R,4R)-3-benzamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide?
The InChIKey is RVXBNSBZNVTNRD-VKDGWMQASA-N. The full InChI is InChI=1S/C24H28N2O2/c1-23(2)18-14-15-24(23,3)20(26-22(28)17-12-8-5-9-13-17)19(18)25-21(27)16-10-6-4-7-11-16/h4-13,18-20H,14-15H2,1-3H3,(H,25,27)(H,26,28)/t18-,19+,20-,24-/m0/s1.
What are the key properties of N-[(1R,2R,3R,4R)-3-benzamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide?
N-[(1R,2R,3R,4R)-3-benzamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide has a molecular weight of 376.50 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,3R,4R)-3-benzamido-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]benzamide is sourced from PubChem (CID 100805840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).