N-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-3-carboxamide;hydrochloride

C15H20BrClN2O2 — CID 119786264

IUPACN-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(c2cccc(Br)c2)CC1)C1COCCN1
InChIInChI=1S/C15H19BrN2O2.ClH/c16-12-3-1-2-11(8-12)15(4-5-15)10-18-14(19)13-9-20-7-6-17-13;/h1-3,8,13,17H,4-7,9-10H2,(H,18,19);1H
InChIKeyXDCYQGRWZBOAFP-UHFFFAOYSA-N
MW375.69 g/mol
LogP2.01
Rot. Bonds4

About N-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-3-carboxamide;hydrochloride

N-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119786264) has the molecular formula C15H20BrClN2O2 and a molecular weight of 375.69 g/mol. Its IUPAC name is N-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119786264
Molecular FormulaC15H20BrClN2O2
Molecular Weight375.69 g/mol
Exact Mass374.04
IUPAC NameN-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(NCC1(c2cccc(Br)c2)CC1)C1COCCN1
InChIInChI=1S/C15H19BrN2O2.ClH/c16-12-3-1-2-11(8-12)15(4-5-15)10-18-14(19)13-9-20-7-6-17-13;/h1-3,8,13,17H,4-7,9-10H2,(H,18,19);1H
InChIKeyXDCYQGRWZBOAFP-UHFFFAOYSA-N
XLogP2.01
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.69
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(3-bromophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide
CID 119738787
N-[[4-(3-chlorophenyl)oxan-4-yl]methyl]morpholine-3-carboxamide
CID 119749884
N-[[1-(3-methoxyphenyl)cyclopentyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119780111
N-[[1-(3-bromophenyl)cyclobutyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119301103
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]morpholine-3-carboxamide
CID 119731196
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119738816
N-[[1-(4-fluorophenyl)cyclobutyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119761154
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]cyclobutanecarboxamide
CID 47060857
(2R,3S)-N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120927212
N-[(1-thiophen-2-ylcyclohexyl)methyl]morpholine-3-carboxamide
CID 119799168
N-[(4-bromothiophen-2-yl)methyl]morpholine-3-carboxamide;hydrochloride
CID 119731563
(2S,5R)-5-(aminomethyl)-N-[[4-(3-bromophenyl)oxan-4-yl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120788855

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-3-carboxamide;hydrochloride (CID 119786264) is N-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-3-carboxamide;hydrochloride is Cl.O=C(NCC1(c2cccc(Br)c2)CC1)C1COCCN1.
What is the InChIKey of N-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is XDCYQGRWZBOAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2.ClH/c16-12-3-1-2-11(8-12)15(4-5-15)10-18-14(19)13-9-20-7-6-17-13;/h1-3,8,13,17H,4-7,9-10H2,(H,18,19);1H.
What are the key properties of N-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-3-carboxamide;hydrochloride?
N-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 375.69 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-bromophenyl)cyclopropyl]methyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119786264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).