4-(aminomethyl)-N-[[1-(3-bromophenyl)cyclopropyl]methyl]benzamide;hydrochloride

C18H20BrClN2O — CID 119325125

IUPAC4-(aminomethyl)-N-[[1-(3-bromophenyl)cyclopropyl]methyl]benzamide;hydrochloride
SMILESCl.NCc1ccc(C(=O)NCC2(c3cccc(Br)c3)CC2)cc1
InChIInChI=1S/C18H19BrN2O.ClH/c19-16-3-1-2-15(10-16)18(8-9-18)12-21-17(22)14-6-4-13(11-20)5-7-14;/h1-7,10H,8-9,11-12,20H2,(H,21,22);1H
InChIKeyACOFBLGVVBSHTO-UHFFFAOYSA-N
MW395.73 g/mol
LogP3.79
Rot. Bonds5

About 4-(aminomethyl)-N-[[1-(3-bromophenyl)cyclopropyl]methyl]benzamide;hydrochloride

4-(aminomethyl)-N-[[1-(3-bromophenyl)cyclopropyl]methyl]benzamide;hydrochloride (PubChem CID 119325125) has the molecular formula C18H20BrClN2O and a molecular weight of 395.73 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[[1-(3-bromophenyl)cyclopropyl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-[[1-(3-bromophenyl)cyclopropyl]methyl]benzamide;hydrochloride
PubChem CID119325125
Molecular FormulaC18H20BrClN2O
Molecular Weight395.73 g/mol
Exact Mass394.04
IUPAC Name4-(aminomethyl)-N-[[1-(3-bromophenyl)cyclopropyl]methyl]benzamide;hydrochloride
SMILESCl.NCc1ccc(C(=O)NCC2(c3cccc(Br)c3)CC2)cc1
InChIInChI=1S/C18H19BrN2O.ClH/c19-16-3-1-2-15(10-16)18(8-9-18)12-21-17(22)14-6-4-13(11-20)5-7-14;/h1-7,10H,8-9,11-12,20H2,(H,21,22);1H
InChIKeyACOFBLGVVBSHTO-UHFFFAOYSA-N
XLogP3.79
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.73
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 82546336
3-amino-N-[[1-(3-bromophenyl)cyclobutyl]methyl]benzamide
CID 119744824
4-(aminomethyl)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]benzamide
CID 119317231
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-4-(carbamoylamino)benzamide
CID 60524682
2-(4-aminophenyl)-N-[[1-(3-bromophenyl)cyclobutyl]methyl]acetamide;hydrochloride
CID 119744805
1-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-methoxyurea
CID 56805862
N-[2-[[N-[[1-(3-bromophenyl)cyclopropyl]methyl]-N'-methylcarbamimidoyl]amino]ethyl]benzamide
CID 111572573
4-[[[[[1-(3-bromophenyl)cyclopropyl]methylamino]-(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111572772
4-(aminomethyl)-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]benzamide;hydrochloride
CID 119303800
2-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-2-phenylacetamide
CID 119325130
3-bromo-N-[(1-thiophen-3-ylcyclopropyl)methyl]benzamide
CID 146079134
3-amino-N-[[1-(3-bromophenyl)cyclopropyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119951552

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[[1-(3-bromophenyl)cyclopropyl]methyl]benzamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-[[1-(3-bromophenyl)cyclopropyl]methyl]benzamide;hydrochloride (CID 119325125) is 4-(aminomethyl)-N-[[1-(3-bromophenyl)cyclopropyl]methyl]benzamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-[[1-(3-bromophenyl)cyclopropyl]methyl]benzamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-[[1-(3-bromophenyl)cyclopropyl]methyl]benzamide;hydrochloride is Cl.NCc1ccc(C(=O)NCC2(c3cccc(Br)c3)CC2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-[[1-(3-bromophenyl)cyclopropyl]methyl]benzamide;hydrochloride?
The InChIKey is ACOFBLGVVBSHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O.ClH/c19-16-3-1-2-15(10-16)18(8-9-18)12-21-17(22)14-6-4-13(11-20)5-7-14;/h1-7,10H,8-9,11-12,20H2,(H,21,22);1H.
What are the key properties of 4-(aminomethyl)-N-[[1-(3-bromophenyl)cyclopropyl]methyl]benzamide;hydrochloride?
4-(aminomethyl)-N-[[1-(3-bromophenyl)cyclopropyl]methyl]benzamide;hydrochloride has a molecular weight of 395.73 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[[1-(3-bromophenyl)cyclopropyl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 119325125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).