N-[4-(4-bromophenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride

C15H22BrClN2O2 — CID 119748246

IUPACN-[4-(4-bromophenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride
SMILESCC(CCc1ccc(Br)cc1)NC(=O)C1CNCCO1.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-11(2-3-12-4-6-13(16)7-5-12)18-15(19)14-10-17-8-9-20-14;/h4-7,11,14,17H,2-3,8-10H2,1H3,(H,18,19);1H
InChIKeyKVDKVQSUSAKHQX-UHFFFAOYSA-N
MW377.71 g/mol
LogP2.30
Rot. Bonds5

About N-[4-(4-bromophenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride

N-[4-(4-bromophenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119748246) has the molecular formula C15H22BrClN2O2 and a molecular weight of 377.71 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride
PubChem CID119748246
Molecular FormulaC15H22BrClN2O2
Molecular Weight377.71 g/mol
Exact Mass376.06
IUPAC NameN-[4-(4-bromophenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride
SMILESCC(CCc1ccc(Br)cc1)NC(=O)C1CNCCO1.Cl
InChIInChI=1S/C15H21BrN2O2.ClH/c1-11(2-3-12-4-6-13(16)7-5-12)18-15(19)14-10-17-8-9-20-14;/h4-7,11,14,17H,2-3,8-10H2,1H3,(H,18,19);1H
InChIKeyKVDKVQSUSAKHQX-UHFFFAOYSA-N
XLogP2.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.71
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-propan-2-yloxyphenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119720999
N-[1-(3,5-dimethylphenyl)propan-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119806702
N-[1-[4-(2-methylpropyl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119683082
N-[2-(4-bromophenyl)sulfanylpropyl]morpholine-2-carboxamide;hydrochloride
CID 119782391
N-(1-cyclopropylpropan-2-yl)morpholine-2-carboxamide;hydrochloride
CID 119784606
(2S,4S)-N-[4-(4-bromophenyl)butan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120625464
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]morpholine-2-carboxamide;hydrochloride
CID 119698887
N-[1-(4-bromophenyl)propan-2-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 119734902
2-morpholin-2-yl-N-(4-phenylbutan-2-yl)acetamide
CID 66428944
N-(4-pentylphenyl)morpholine-2-carboxamide;hydrochloride
CID 119686937
N-[2-(4-bromophenyl)sulfanyl-2-methylpropyl]morpholine-2-carboxamide;hydrochloride
CID 119806742
N-[4-(4-bromophenyl)butan-2-yl]-1,3-thiazolidine-4-carboxamide
CID 119302976

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[4-(4-bromophenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride (CID 119748246) is N-[4-(4-bromophenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(4-bromophenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(4-bromophenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride is CC(CCc1ccc(Br)cc1)NC(=O)C1CNCCO1.Cl.
What is the InChIKey of N-[4-(4-bromophenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is KVDKVQSUSAKHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2.ClH/c1-11(2-3-12-4-6-13(16)7-5-12)18-15(19)14-10-17-8-9-20-14;/h4-7,11,14,17H,2-3,8-10H2,1H3,(H,18,19);1H.
What are the key properties of N-[4-(4-bromophenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride?
N-[4-(4-bromophenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 377.71 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)butan-2-yl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119748246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).