N-[1-(2-bromophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride

C15H22BrCl2N3O2 — CID 119884413

IUPACN-[1-(2-bromophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCN(c2ccccc2Br)C1)C1CNCCO1
InChIInChI=1S/C15H20BrN3O2.2ClH/c16-12-3-1-2-4-13(12)19-7-5-11(10-19)18-15(20)14-9-17-6-8-21-14;;/h1-4,11,14,17H,5-10H2,(H,18,20);2*1H
InChIKeyJXMQMIPPCVDOJQ-UHFFFAOYSA-N
MW427.17 g/mol
LogP1.98
Rot. Bonds3

About N-[1-(2-bromophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride

N-[1-(2-bromophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride (PubChem CID 119884413) has the molecular formula C15H22BrCl2N3O2 and a molecular weight of 427.17 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride
PubChem CID119884413
Molecular FormulaC15H22BrCl2N3O2
Molecular Weight427.17 g/mol
Exact Mass425.03
IUPAC NameN-[1-(2-bromophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NC1CCN(c2ccccc2Br)C1)C1CNCCO1
InChIInChI=1S/C15H20BrN3O2.2ClH/c16-12-3-1-2-4-13(12)19-7-5-11(10-19)18-15(20)14-9-17-6-8-21-14;;/h1-4,11,14,17H,5-10H2,(H,18,20);2*1H
InChIKeyJXMQMIPPCVDOJQ-UHFFFAOYSA-N
XLogP1.98
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.17
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(2-bromophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,6-difluorophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride
CID 119899460
N-[1-(2-bromophenyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119884405
N-[1-(3-methylphenyl)piperidin-4-yl]morpholine-2-carboxamide;dihydrochloride
CID 154903636
N-(1-benzylpiperidin-4-yl)morpholine-2-carboxamide
CID 119827619
trans-(1R,3R)-3-amino-N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]cyclopentane-1-carboxamide
CID 124700001
N-[1-(3-phenylpropanoyl)piperidin-4-yl]morpholine-2-carboxamide;hydrochloride
CID 119735145
N-[(3R)-1-(2-bromophenyl)pyrrolidin-3-yl]furan-3-carboxamide
CID 95620420
N-[1-(4-methylbenzoyl)piperidin-4-yl]morpholine-2-carboxamide
CID 119770095
N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119884408
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]morpholine-2-carboxamide
CID 119840351
N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]morpholine-2-carboxamide;hydrochloride
CID 119802816
N-(3,4-dihydro-2H-chromen-3-yl)morpholine-2-carboxamide;hydrochloride
CID 119734072

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(2-bromophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride (CID 119884413) is N-[1-(2-bromophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(2-bromophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(2-bromophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NC1CCN(c2ccccc2Br)C1)C1CNCCO1.
What is the InChIKey of N-[1-(2-bromophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride?
The InChIKey is JXMQMIPPCVDOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2.2ClH/c16-12-3-1-2-4-13(12)19-7-5-11(10-19)18-15(20)14-9-17-6-8-21-14;;/h1-4,11,14,17H,5-10H2,(H,18,20);2*1H.
What are the key properties of N-[1-(2-bromophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride?
N-[1-(2-bromophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride has a molecular weight of 427.17 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)pyrrolidin-3-yl]morpholine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119884413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).