N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide;hydrochloride

C20H24ClN3O3 — CID 119700824

IUPACN-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H23N3O3.ClH/c21-18-14-6-5-13(10-14)17(18)20(25)22-11-12-3-7-15(8-4-12)23-19(24)16-2-1-9-26-16;/h1-4,7-9,13-14,17-18H,5-6,10-11,21H2,(H,22,25)(H,23,24);1H
InChIKeyRMHSAOFKWXNCBN-UHFFFAOYSA-N
MW389.88 g/mol
LogP2.94
Rot. Bonds5

About N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide;hydrochloride

N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide;hydrochloride (PubChem CID 119700824) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide;hydrochloride
PubChem CID119700824
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC NameN-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide;hydrochloride
SMILESCl.NC1C2CCC(C2)C1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C20H23N3O3.ClH/c21-18-14-6-5-13(10-14)17(18)20(25)22-11-12-3-7-15(8-4-12)23-19(24)16-2-1-9-26-16;/h1-4,7-9,13-14,17-18H,5-6,10-11,21H2,(H,22,25)(H,23,24);1H
InChIKeyRMHSAOFKWXNCBN-UHFFFAOYSA-N
XLogP2.94
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide;hydrochloride with MolForge

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Related Compounds

N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 119870453
N-[4-[(cyclohexanecarbonylamino)methyl]phenyl]furan-2-carboxamide
CID 42017935
3-amino-N-[(4-fluorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119675800
3-amino-N-[(4-ethylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 103808876
3-amino-N-[[3-[(3-fluorobenzoyl)amino]phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119741762
3-amino-N-[(4-propan-2-ylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119716369
3-amino-N-[(3-carbamoylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119719919
N-[[4-(furan-2-carbonylamino)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119277230
N-[4-[[[2-(2-fluorophenyl)cyclopropanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide
CID 134000496
3-amino-N-[[4-(1-hydroxyethyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119737448
N-[4-[[[1-(aminomethyl)cyclopentanecarbonyl]amino]methyl]phenyl]furan-2-carboxamide;hydrochloride
CID 119700826
3-amino-N-[[4-(difluoromethoxy)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119689643

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide;hydrochloride (CID 119700824) is N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide;hydrochloride is Cl.NC1C2CCC(C2)C1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide;hydrochloride?
The InChIKey is RMHSAOFKWXNCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3.ClH/c21-18-14-6-5-13(10-14)17(18)20(25)22-11-12-3-7-15(8-4-12)23-19(24)16-2-1-9-26-16;/h1-4,7-9,13-14,17-18H,5-6,10-11,21H2,(H,22,25)(H,23,24);1H.
What are the key properties of N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide;hydrochloride?
N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide;hydrochloride has a molecular weight of 389.88 g/mol, XLogP of 2.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]methyl]phenyl]furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119700824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).