3-(2-aminophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride

C19H22ClFN2O — CID 120611193

IUPAC3-(2-aminophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)NCC1(c2cccc(F)c2)CC1
InChIInChI=1S/C19H21FN2O.ClH/c20-16-6-3-5-15(12-16)19(10-11-19)13-22-18(23)9-8-14-4-1-2-7-17(14)21;/h1-7,12H,8-11,13,21H2,(H,22,23);1H
InChIKeyVUVBNXGJMIEXPV-UHFFFAOYSA-N
MW348.85 g/mol
LogP3.61
Rot. Bonds6

About 3-(2-aminophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride

3-(2-aminophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride (PubChem CID 120611193) has the molecular formula C19H22ClFN2O and a molecular weight of 348.85 g/mol. Its IUPAC name is 3-(2-aminophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-(2-aminophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
PubChem CID120611193
Molecular FormulaC19H22ClFN2O
Molecular Weight348.85 g/mol
Exact Mass348.14
IUPAC Name3-(2-aminophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
SMILESCl.Nc1ccccc1CCC(=O)NCC1(c2cccc(F)c2)CC1
InChIInChI=1S/C19H21FN2O.ClH/c20-16-6-3-5-15(12-16)19(10-11-19)13-22-18(23)9-8-14-4-1-2-7-17(14)21;/h1-7,12H,8-11,13,21H2,(H,22,23);1H
InChIKeyVUVBNXGJMIEXPV-UHFFFAOYSA-N
XLogP3.61
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]hexanamide
CID 110482650
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]pentanamide
CID 110479509
(2R)-2-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride
CID 119332783
1-amino-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119332781
3-(2-amino-4,6-dimethylpyrimidin-5-yl)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]propanamide
CID 46974939
3-(2,3-dichlorophenyl)-N-[(1-phenylcyclopropyl)methyl]propanamide
CID 38937319
3-(2-aminophenyl)-N-[(1-phenylsulfanylcyclopropyl)methyl]propanamide
CID 120610683
N-[[1-(3-fluorophenyl)cyclopropyl]methyl]-3-hydroxy-3-phenylbutanamide
CID 110025489
3-(1H-benzimidazol-2-yl)-N-[[1-(3-fluorophenyl)cyclopentyl]methyl]propanamide
CID 118760643
3-(2-aminophenyl)-N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]propanamide;dihydrochloride
CID 120612741
3-(2-aminophenyl)-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
CID 107273259
2-(3-fluorophenyl)-N-[(4-phenyloxan-4-yl)methyl]acetamide
CID 110739567

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-(2-aminophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride (CID 120611193) is 3-(2-aminophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-(2-aminophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-(2-aminophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride is Cl.Nc1ccccc1CCC(=O)NCC1(c2cccc(F)c2)CC1.
What is the InChIKey of 3-(2-aminophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride?
The InChIKey is VUVBNXGJMIEXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O.ClH/c20-16-6-3-5-15(12-16)19(10-11-19)13-22-18(23)9-8-14-4-1-2-7-17(14)21;/h1-7,12H,8-11,13,21H2,(H,22,23);1H.
What are the key properties of 3-(2-aminophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride?
3-(2-aminophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride has a molecular weight of 348.85 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenyl)-N-[[1-(3-fluorophenyl)cyclopropyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 120611193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).