4-[(2-bromophenyl)methyl]-N-cyclopropylmorpholine-3-carboxamide

C15H19BrN2O2 — CID 83103715

IUPAC4-[(2-bromophenyl)methyl]-N-cyclopropylmorpholine-3-carboxamide
SMILESO=C(NC1CC1)C1COCCN1Cc1ccccc1Br
InChIInChI=1S/C15H19BrN2O2/c16-13-4-2-1-3-11(13)9-18-7-8-20-10-14(18)15(19)17-12-5-6-12/h1-4,12,14H,5-10H2,(H,17,19)
InChIKeyYZVBJNSJMSYOGX-UHFFFAOYSA-N
MW339.23 g/mol
LogP1.93
Rot. Bonds4

About 4-[(2-bromophenyl)methyl]-N-cyclopropylmorpholine-3-carboxamide

4-[(2-bromophenyl)methyl]-N-cyclopropylmorpholine-3-carboxamide (PubChem CID 83103715) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methyl]-N-cyclopropylmorpholine-3-carboxamide.

Molecular Properties

Compound Name4-[(2-bromophenyl)methyl]-N-cyclopropylmorpholine-3-carboxamide
PubChem CID83103715
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name4-[(2-bromophenyl)methyl]-N-cyclopropylmorpholine-3-carboxamide
SMILESO=C(NC1CC1)C1COCCN1Cc1ccccc1Br
InChIInChI=1S/C15H19BrN2O2/c16-13-4-2-1-3-11(13)9-18-7-8-20-10-14(18)15(19)17-12-5-6-12/h1-4,12,14H,5-10H2,(H,17,19)
InChIKeyYZVBJNSJMSYOGX-UHFFFAOYSA-N
XLogP1.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(cyclopropylcarbamoyl)morpholin-4-yl]methyl]furan-2-carboxylic acid
CID 83102524
4-[[4-(aminomethyl)phenyl]methyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83098577
4-[2-(aminomethyl)phenyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83106502
4-benzyl-N-(3,3,5,5-tetramethylcyclohexyl)morpholine-3-carboxamide
CID 11660454
5-[[3-(cyclopropylcarbamoyl)morpholin-4-yl]methyl]furan-3-carboxylic acid
CID 83101848
4-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83103828
N-cyclopropyl-4-(2-oxoethyl)morpholine-3-carboxamide
CID 83103250
4-[[2-(aminomethyl)phenyl]methyl]-N-propan-2-ylmorpholine-3-carboxamide
CID 83098587
4-(3-bromopyridine-2-carbonyl)-N-cyclopropylmorpholine-3-carboxamide
CID 107519258
4-[(2-carbamothioylphenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83099483
2-[2-[(3-methoxycarbonylmorpholin-4-yl)methyl]phenyl]acetic acid
CID 104775095
4-[[3-(aminomethyl)-2-fluorophenyl]methyl]-N-methylmorpholine-3-carboxamide
CID 107113577

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methyl]-N-cyclopropylmorpholine-3-carboxamide?
The IUPAC name of 4-[(2-bromophenyl)methyl]-N-cyclopropylmorpholine-3-carboxamide (CID 83103715) is 4-[(2-bromophenyl)methyl]-N-cyclopropylmorpholine-3-carboxamide.
What is the SMILES notation for 4-[(2-bromophenyl)methyl]-N-cyclopropylmorpholine-3-carboxamide?
The canonical SMILES for 4-[(2-bromophenyl)methyl]-N-cyclopropylmorpholine-3-carboxamide is O=C(NC1CC1)C1COCCN1Cc1ccccc1Br.
What is the InChIKey of 4-[(2-bromophenyl)methyl]-N-cyclopropylmorpholine-3-carboxamide?
The InChIKey is YZVBJNSJMSYOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c16-13-4-2-1-3-11(13)9-18-7-8-20-10-14(18)15(19)17-12-5-6-12/h1-4,12,14H,5-10H2,(H,17,19).
What are the key properties of 4-[(2-bromophenyl)methyl]-N-cyclopropylmorpholine-3-carboxamide?
4-[(2-bromophenyl)methyl]-N-cyclopropylmorpholine-3-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methyl]-N-cyclopropylmorpholine-3-carboxamide is sourced from PubChem (CID 83103715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).