4-(2-bicyclo[2.2.1]heptanylamino)-N-cyclopropylbenzamide

C17H22N2O — CID 61309160

IUPAC4-(2-bicyclo[2.2.1]heptanylamino)-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(NC2CC3CCC2C3)cc1
InChIInChI=1S/C17H22N2O/c20-17(19-15-7-8-15)12-3-5-14(6-4-12)18-16-10-11-1-2-13(16)9-11/h3-6,11,13,15-16,18H,1-2,7-10H2,(H,19,20)
InChIKeyKAWOCXVZYLPTTJ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.18
Rot. Bonds4

About 4-(2-bicyclo[2.2.1]heptanylamino)-N-cyclopropylbenzamide

4-(2-bicyclo[2.2.1]heptanylamino)-N-cyclopropylbenzamide (PubChem CID 61309160) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-(2-bicyclo[2.2.1]heptanylamino)-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-(2-bicyclo[2.2.1]heptanylamino)-N-cyclopropylbenzamide
PubChem CID61309160
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-(2-bicyclo[2.2.1]heptanylamino)-N-cyclopropylbenzamide
SMILESO=C(NC1CC1)c1ccc(NC2CC3CCC2C3)cc1
InChIInChI=1S/C17H22N2O/c20-17(19-15-7-8-15)12-3-5-14(6-4-12)18-16-10-11-1-2-13(16)9-11/h3-6,11,13,15-16,18H,1-2,7-10H2,(H,19,20)
InChIKeyKAWOCXVZYLPTTJ-UHFFFAOYSA-N
XLogP3.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide
CID 2231103
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 1338021
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 6980977
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-4-(cyclobutanecarbonylamino)benzamide
CID 50975798
N-(2-bicyclo[2.2.1]heptanyl)-4-(bromomethyl)benzamide
CID 102851737
(1S,2R,4S)-N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526652
(1S,2R,4S)-N-(4-methylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 124526666
N-(4-fluorophenyl)bicyclo[2.2.1]heptan-2-amine
CID 61310114
N-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]-4-nitrobenzamide
CID 11630293
4-(benzenesulfonamido)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzamide
CID 11899057
N-cyclopropyl-4-(methylamino)benzamide
CID 62170956
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-4-ethoxybenzamide
CID 98736172

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[2.2.1]heptanylamino)-N-cyclopropylbenzamide?
The IUPAC name of 4-(2-bicyclo[2.2.1]heptanylamino)-N-cyclopropylbenzamide (CID 61309160) is 4-(2-bicyclo[2.2.1]heptanylamino)-N-cyclopropylbenzamide.
What is the SMILES notation for 4-(2-bicyclo[2.2.1]heptanylamino)-N-cyclopropylbenzamide?
The canonical SMILES for 4-(2-bicyclo[2.2.1]heptanylamino)-N-cyclopropylbenzamide is O=C(NC1CC1)c1ccc(NC2CC3CCC2C3)cc1.
What is the InChIKey of 4-(2-bicyclo[2.2.1]heptanylamino)-N-cyclopropylbenzamide?
The InChIKey is KAWOCXVZYLPTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c20-17(19-15-7-8-15)12-3-5-14(6-4-12)18-16-10-11-1-2-13(16)9-11/h3-6,11,13,15-16,18H,1-2,7-10H2,(H,19,20).
What are the key properties of 4-(2-bicyclo[2.2.1]heptanylamino)-N-cyclopropylbenzamide?
4-(2-bicyclo[2.2.1]heptanylamino)-N-cyclopropylbenzamide has a molecular weight of 270.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[2.2.1]heptanylamino)-N-cyclopropylbenzamide is sourced from PubChem (CID 61309160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).