N-[[4-(4-bromophenyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C17H24BrClN2O2 — CID 119314901

IUPACN-[[4-(4-bromophenyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(c2ccc(Br)cc2)CCOCC1)C1CCCN1
InChIInChI=1S/C17H23BrN2O2.ClH/c18-14-5-3-13(4-6-14)17(7-10-22-11-8-17)12-20-16(21)15-2-1-9-19-15;/h3-6,15,19H,1-2,7-12H2,(H,20,21);1H
InChIKeyADKZRIJMNYZGKH-UHFFFAOYSA-N
MW403.75 g/mol
LogP2.79
Rot. Bonds4

About N-[[4-(4-bromophenyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride

N-[[4-(4-bromophenyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119314901) has the molecular formula C17H24BrClN2O2 and a molecular weight of 403.75 g/mol. Its IUPAC name is N-[[4-(4-bromophenyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(4-bromophenyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119314901
Molecular FormulaC17H24BrClN2O2
Molecular Weight403.75 g/mol
Exact Mass402.07
IUPAC NameN-[[4-(4-bromophenyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(c2ccc(Br)cc2)CCOCC1)C1CCCN1
InChIInChI=1S/C17H23BrN2O2.ClH/c18-14-5-3-13(4-6-14)17(7-10-22-11-8-17)12-20-16(21)15-2-1-9-19-15;/h3-6,15,19H,1-2,7-12H2,(H,20,21);1H
InChIKeyADKZRIJMNYZGKH-UHFFFAOYSA-N
XLogP2.79
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.75
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(4-bromophenyl)oxan-4-yl]methyl]piperidine-2-carboxamide
CID 119314892
N-[(4-phenyloxan-4-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119293530
N-[[1-(4-fluorophenyl)cyclohexyl]methyl]pyrrolidine-2-carboxamide
CID 119303685
N-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119301103
N-[(1-phenylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 110481276
3-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119768583
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide
CID 119310485
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide
CID 119315649
N-[[1-(2-bromophenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119333019
N-[[4-(dimethylamino)oxan-4-yl]methyl]pyrrolidine-2-carboxamide
CID 119885272
1-amino-N-[[4-(4-bromophenyl)oxan-4-yl]methyl]cyclopentane-1-carboxamide
CID 119314904
N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119303720

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-bromophenyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(4-bromophenyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119314901) is N-[[4-(4-bromophenyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(4-bromophenyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(4-bromophenyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCC1(c2ccc(Br)cc2)CCOCC1)C1CCCN1.
What is the InChIKey of N-[[4-(4-bromophenyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is ADKZRIJMNYZGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O2.ClH/c18-14-5-3-13(4-6-14)17(7-10-22-11-8-17)12-20-16(21)15-2-1-9-19-15;/h3-6,15,19H,1-2,7-12H2,(H,20,21);1H.
What are the key properties of N-[[4-(4-bromophenyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[[4-(4-bromophenyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 403.75 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-bromophenyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119314901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).