N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-4-(furan-3-yl)benzamide;hydrochloride

C22H23ClN2O2 — CID 118483850

IUPACN-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-4-(furan-3-yl)benzamide;hydrochloride
SMILESCC[C@]1(N)C[C@H]1c1ccc(NC(=O)c2ccc(-c3ccoc3)cc2)cc1.Cl
InChIInChI=1S/C22H22N2O2.ClH/c1-2-22(23)13-20(22)16-7-9-19(10-8-16)24-21(25)17-5-3-15(4-6-17)18-11-12-26-14-18;/h3-12,14,20H,2,13,23H2,1H3,(H,24,25);1H/t20-,22-;/m0./s1
InChIKeyKXPHACXUXJMTBM-DTRWSJPISA-N
MW382.89 g/mol
LogP5.22
Rot. Bonds5

About N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-4-(furan-3-yl)benzamide;hydrochloride

N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-4-(furan-3-yl)benzamide;hydrochloride (PubChem CID 118483850) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-4-(furan-3-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-4-(furan-3-yl)benzamide;hydrochloride
PubChem CID118483850
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC NameN-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-4-(furan-3-yl)benzamide;hydrochloride
SMILESCC[C@]1(N)C[C@H]1c1ccc(NC(=O)c2ccc(-c3ccoc3)cc2)cc1.Cl
InChIInChI=1S/C22H22N2O2.ClH/c1-2-22(23)13-20(22)16-7-9-19(10-8-16)24-21(25)17-5-3-15(4-6-17)18-11-12-26-14-18;/h3-12,14,20H,2,13,23H2,1H3,(H,24,25);1H/t20-,22-;/m0./s1
InChIKeyKXPHACXUXJMTBM-DTRWSJPISA-N
XLogP5.22
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.89
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide
CID 74763834
N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-pyridin-4-ylbenzamide;dihydrochloride
CID 118483954
N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]pyridine-4-carboxamide
CID 118483857
N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride
CID 118483829
N-[3-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide
CID 90212569
N-[3-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]benzamide
CID 90205042
N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]benzamide;hydrochloride
CID 90198019
ethyl 4-(furan-3-yl)benzoate
CID 86071197
N-[4-[2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]naphthalene-2-carboxamide
CID 90205307
[3-[[3-(2-amino-2-ethylcyclopropyl)phenyl]carbamoyl]phenyl]carbamic acid
CID 155044907
N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]-3-phenylbenzamide
CID 90204670
benzyl N-[5-[[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]carbamoyl]-2-(4-methylpiperazin-1-yl)phenyl]carbamate;2,2,2-trifluoroacetic acid
CID 118483837

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-4-(furan-3-yl)benzamide;hydrochloride?
The IUPAC name of N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-4-(furan-3-yl)benzamide;hydrochloride (CID 118483850) is N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-4-(furan-3-yl)benzamide;hydrochloride.
What is the SMILES notation for N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-4-(furan-3-yl)benzamide;hydrochloride?
The canonical SMILES for N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-4-(furan-3-yl)benzamide;hydrochloride is CC[C@]1(N)C[C@H]1c1ccc(NC(=O)c2ccc(-c3ccoc3)cc2)cc1.Cl.
What is the InChIKey of N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-4-(furan-3-yl)benzamide;hydrochloride?
The InChIKey is KXPHACXUXJMTBM-DTRWSJPISA-N. The full InChI is InChI=1S/C22H22N2O2.ClH/c1-2-22(23)13-20(22)16-7-9-19(10-8-16)24-21(25)17-5-3-15(4-6-17)18-11-12-26-14-18;/h3-12,14,20H,2,13,23H2,1H3,(H,24,25);1H/t20-,22-;/m0./s1.
What are the key properties of N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-4-(furan-3-yl)benzamide;hydrochloride?
N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-4-(furan-3-yl)benzamide;hydrochloride has a molecular weight of 382.89 g/mol, XLogP of 5.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-4-(furan-3-yl)benzamide;hydrochloride is sourced from PubChem (CID 118483850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).