N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(cyclobutanecarbonylamino)benzamide

C19H24N2O2 — CID 50975798

IUPACN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(cyclobutanecarbonylamino)benzamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(NC(=O)C2CCC2)cc1
InChIInChI=1S/C19H24N2O2/c22-18(13-2-1-3-13)20-16-8-6-14(7-9-16)19(23)21-17-11-12-4-5-15(17)10-12/h6-9,12-13,15,17H,1-5,10-11H2,(H,20,22)(H,21,23)/t12-,15+,17+/m0/s1
InChIKeyXZGWPETXOLUOAP-XGWLTEMNSA-N
MW312.41 g/mol
LogP3.34
Rot. Bonds4

About N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(cyclobutanecarbonylamino)benzamide

N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(cyclobutanecarbonylamino)benzamide (PubChem CID 50975798) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(cyclobutanecarbonylamino)benzamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(cyclobutanecarbonylamino)benzamide
PubChem CID50975798
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(cyclobutanecarbonylamino)benzamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(NC(=O)C2CCC2)cc1
InChIInChI=1S/C19H24N2O2/c22-18(13-2-1-3-13)20-16-8-6-14(7-9-16)19(23)21-17-11-12-4-5-15(17)10-12/h6-9,12-13,15,17H,1-5,10-11H2,(H,20,22)(H,21,23)/t12-,15+,17+/m0/s1
InChIKeyXZGWPETXOLUOAP-XGWLTEMNSA-N
XLogP3.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(cyclobutanecarbonylamino)benzamide?
The IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(cyclobutanecarbonylamino)benzamide (CID 50975798) is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(cyclobutanecarbonylamino)benzamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(cyclobutanecarbonylamino)benzamide?
The canonical SMILES for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(cyclobutanecarbonylamino)benzamide is O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(NC(=O)C2CCC2)cc1.
What is the InChIKey of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(cyclobutanecarbonylamino)benzamide?
The InChIKey is XZGWPETXOLUOAP-XGWLTEMNSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-18(13-2-1-3-13)20-16-8-6-14(7-9-16)19(23)21-17-11-12-4-5-15(17)10-12/h6-9,12-13,15,17H,1-5,10-11H2,(H,20,22)(H,21,23)/t12-,15+,17+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(cyclobutanecarbonylamino)benzamide?
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(cyclobutanecarbonylamino)benzamide has a molecular weight of 312.41 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(cyclobutanecarbonylamino)benzamide is sourced from PubChem (CID 50975798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).