3-amino-N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C19H26ClFN2O — CID 119791088

IUPAC3-amino-N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)N(Cc1ccc(F)cc1)CC1CC1
InChIInChI=1S/C19H25FN2O.ClH/c20-16-7-3-13(4-8-16)11-22(10-12-1-2-12)19(23)17-14-5-6-15(9-14)18(17)21;/h3-4,7-8,12,14-15,17-18H,1-2,5-6,9-11,21H2;1H
InChIKeyUGDNJXUQECRJST-UHFFFAOYSA-N
MW352.88 g/mol
LogP3.36
Rot. Bonds5

About 3-amino-N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119791088) has the molecular formula C19H26ClFN2O and a molecular weight of 352.88 g/mol. Its IUPAC name is 3-amino-N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119791088
Molecular FormulaC19H26ClFN2O
Molecular Weight352.88 g/mol
Exact Mass352.17
IUPAC Name3-amino-N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)N(Cc1ccc(F)cc1)CC1CC1
InChIInChI=1S/C19H25FN2O.ClH/c20-16-7-3-13(4-8-16)11-22(10-12-1-2-12)19(23)17-14-5-6-15(9-14)18(17)21;/h3-4,7-8,12,14-15,17-18H,1-2,5-6,9-11,21H2;1H
InChIKeyUGDNJXUQECRJST-UHFFFAOYSA-N
XLogP3.36
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.88
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119791088) is 3-amino-N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is Cl.NC1C2CCC(C2)C1C(=O)N(Cc1ccc(F)cc1)CC1CC1.
What is the InChIKey of 3-amino-N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is UGDNJXUQECRJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O.ClH/c20-16-7-3-13(4-8-16)11-22(10-12-1-2-12)19(23)17-14-5-6-15(9-14)18(17)21;/h3-4,7-8,12,14-15,17-18H,1-2,5-6,9-11,21H2;1H.
What are the key properties of 3-amino-N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 352.88 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119791088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).