2-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]benzamide;hydrochloride

C19H22BrClN2O2 — CID 119945234

IUPAC2-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]benzamide;hydrochloride
SMILESCl.Nc1ccccc1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1
InChIInChI=1S/C19H21BrN2O2.ClH/c20-15-7-5-14(6-8-15)19(9-11-24-12-10-19)13-22-18(23)16-3-1-2-4-17(16)21;/h1-8H,9-13,21H2,(H,22,23);1H
InChIKeyLVTVTHLKVFCJAH-UHFFFAOYSA-N
MW425.75 g/mol
LogP3.93
Rot. Bonds4

About 2-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]benzamide;hydrochloride

2-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]benzamide;hydrochloride (PubChem CID 119945234) has the molecular formula C19H22BrClN2O2 and a molecular weight of 425.75 g/mol. Its IUPAC name is 2-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]benzamide;hydrochloride
PubChem CID119945234
Molecular FormulaC19H22BrClN2O2
Molecular Weight425.75 g/mol
Exact Mass424.06
IUPAC Name2-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]benzamide;hydrochloride
SMILESCl.Nc1ccccc1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1
InChIInChI=1S/C19H21BrN2O2.ClH/c20-15-7-5-14(6-8-15)19(9-11-24-12-10-19)13-22-18(23)16-3-1-2-4-17(16)21;/h1-8H,9-13,21H2,(H,22,23);1H
InChIKeyLVTVTHLKVFCJAH-UHFFFAOYSA-N
XLogP3.93
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.75
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]benzamide
CID 119944971
2-bromo-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 1340930
2-amino-N-[[4-(dimethylamino)oxan-4-yl]methyl]benzamide;dihydrochloride
CID 119947204
5-bromo-2-chloro-N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]benzamide
CID 27449067
1-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 119314904
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449030
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-methylbenzamide
CID 27449958
5-amino-2-methyl-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 120623335
5-bromo-2-chloro-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]benzamide
CID 27448908
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-2-nitrobenzamide
CID 27450099
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]benzamide
CID 27450186
2,5-dichloro-N-[(4-phenyloxan-4-yl)methyl]benzamide
CID 27448808

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]benzamide;hydrochloride?
The IUPAC name of 2-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]benzamide;hydrochloride (CID 119945234) is 2-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]benzamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]benzamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]benzamide;hydrochloride is Cl.Nc1ccccc1C(=O)NCC1(c2ccc(Br)cc2)CCOCC1.
What is the InChIKey of 2-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]benzamide;hydrochloride?
The InChIKey is LVTVTHLKVFCJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O2.ClH/c20-15-7-5-14(6-8-15)19(9-11-24-12-10-19)13-22-18(23)16-3-1-2-4-17(16)21;/h1-8H,9-13,21H2,(H,22,23);1H.
What are the key properties of 2-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]benzamide;hydrochloride?
2-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]benzamide;hydrochloride has a molecular weight of 425.75 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]benzamide;hydrochloride is sourced from PubChem (CID 119945234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).