3-amino-N-[4-(ethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C17H24ClN3O2 — CID 119714116

IUPAC3-amino-N-[4-(ethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCCNC(=O)c1ccc(NC(=O)C2C3CCC(C3)C2N)cc1.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-2-19-16(21)10-5-7-13(8-6-10)20-17(22)14-11-3-4-12(9-11)15(14)18;/h5-8,11-12,14-15H,2-4,9,18H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyORVOUEAYLOCSIB-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.17
Rot. Bonds4

About 3-amino-N-[4-(ethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[4-(ethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119714116) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 3-amino-N-[4-(ethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[4-(ethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119714116
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name3-amino-N-[4-(ethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCCNC(=O)c1ccc(NC(=O)C2C3CCC(C3)C2N)cc1.Cl
InChIInChI=1S/C17H23N3O2.ClH/c1-2-19-16(21)10-5-7-13(8-6-10)20-17(22)14-11-3-4-12(9-11)15(14)18;/h5-8,11-12,14-15H,2-4,9,18H2,1H3,(H,19,21)(H,20,22);1H
InChIKeyORVOUEAYLOCSIB-UHFFFAOYSA-N
XLogP2.17
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[4-(ethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119827836
3-amino-N-[4-(2,2,2-trifluoroethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119726164
3-amino-N-[4-(prop-2-enylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119740941
3-amino-N-[4-(phenylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119756435
3-amino-N-[4-(dimethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119684897
ethyl 2-[[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]benzoyl]amino]propanoate
CID 119806763
3-amino-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119719010
(1R,2R,3S,4R)-3-[[4-(ethylcarbamoyl)phenyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124823877
methyl 3-[4-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]propanoate
CID 119775677
3-amino-N-(3-iodo-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119680372
3-amino-N-[2-[(4-fluorobenzoyl)amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119742025
3-amino-N-[4-(trifluoromethoxy)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119672844

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-(ethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[4-(ethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119714116) is 3-amino-N-[4-(ethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[4-(ethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[4-(ethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is CCNC(=O)c1ccc(NC(=O)C2C3CCC(C3)C2N)cc1.Cl.
What is the InChIKey of 3-amino-N-[4-(ethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is ORVOUEAYLOCSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2.ClH/c1-2-19-16(21)10-5-7-13(8-6-10)20-17(22)14-11-3-4-12(9-11)15(14)18;/h5-8,11-12,14-15H,2-4,9,18H2,1H3,(H,19,21)(H,20,22);1H.
What are the key properties of 3-amino-N-[4-(ethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[4-(ethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 337.85 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-(ethylcarbamoyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119714116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).