(5-bromo-2-methoxy-4-morpholin-4-ylphenyl)carbamic acid

C12H15BrN2O4 — CID 139510840

IUPAC(5-bromo-2-methoxy-4-morpholin-4-ylphenyl)carbamic acid
SMILESCOc1cc(N2CCOCC2)c(Br)cc1NC(=O)O
InChIInChI=1S/C12H15BrN2O4/c1-18-11-7-10(15-2-4-19-5-3-15)8(13)6-9(11)14-12(16)17/h6-7,14H,2-5H2,1H3,(H,16,17)
InChIKeyQGCVJJKZCLCRRW-UHFFFAOYSA-N
MW331.17 g/mol
LogP2.38
Rot. Bonds3

About (5-bromo-2-methoxy-4-morpholin-4-ylphenyl)carbamic acid

(5-bromo-2-methoxy-4-morpholin-4-ylphenyl)carbamic acid (PubChem CID 139510840) has the molecular formula C12H15BrN2O4 and a molecular weight of 331.17 g/mol. Its IUPAC name is (5-bromo-2-methoxy-4-morpholin-4-ylphenyl)carbamic acid.

Molecular Properties

Compound Name(5-bromo-2-methoxy-4-morpholin-4-ylphenyl)carbamic acid
PubChem CID139510840
Molecular FormulaC12H15BrN2O4
Molecular Weight331.17 g/mol
Exact Mass330.02
IUPAC Name(5-bromo-2-methoxy-4-morpholin-4-ylphenyl)carbamic acid
SMILESCOc1cc(N2CCOCC2)c(Br)cc1NC(=O)O
InChIInChI=1S/C12H15BrN2O4/c1-18-11-7-10(15-2-4-19-5-3-15)8(13)6-9(11)14-12(16)17/h6-7,14H,2-5H2,1H3,(H,16,17)
InChIKeyQGCVJJKZCLCRRW-UHFFFAOYSA-N
XLogP2.38
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromo-5-methoxy-4-nitrosophenyl)morpholine
CID 167231314
dimethyl (E)-2-(2,5-dimethoxy-4-morpholin-4-ylanilino)but-2-enedioate
CID 168568591
N-(5-bromo-2-morpholin-4-ylphenyl)-2-methoxy-5-methylbenzamide
CID 55394956
2-(2-bromo-4,5-dimethoxyphenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 17426993
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(2-morpholin-4-ylphenyl)oxamide
CID 108527534
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-3-methoxy-4-methylbenzamide
CID 26690586
2-bromo-N-(2-methoxy-5-morpholin-4-ylphenyl)benzamide
CID 110359755
2-(5-chloro-2-methoxy-4-morpholin-4-ylphenyl)acetic acid
CID 54251602
methyl 3-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-4-morpholin-4-ylbenzoate
CID 17336384
N-(2,4-dibromo-5-methoxyphenyl)-2-morpholin-4-yl-2-oxoacetamide
CID 134834184
2-[[(E)-3-(3-bromo-4-methoxyphenyl)prop-2-enoyl]amino]benzoic acid;2-[[(E)-3-(4-methoxy-3-morpholin-4-ylphenyl)prop-2-enoyl]amino]benzoic acid
CID 160975961
N-(5-chloro-2-methoxyphenyl)-2-morpholin-4-ylbenzamide
CID 48980598

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-methoxy-4-morpholin-4-ylphenyl)carbamic acid?
The IUPAC name of (5-bromo-2-methoxy-4-morpholin-4-ylphenyl)carbamic acid (CID 139510840) is (5-bromo-2-methoxy-4-morpholin-4-ylphenyl)carbamic acid.
What is the SMILES notation for (5-bromo-2-methoxy-4-morpholin-4-ylphenyl)carbamic acid?
The canonical SMILES for (5-bromo-2-methoxy-4-morpholin-4-ylphenyl)carbamic acid is COc1cc(N2CCOCC2)c(Br)cc1NC(=O)O.
What is the InChIKey of (5-bromo-2-methoxy-4-morpholin-4-ylphenyl)carbamic acid?
The InChIKey is QGCVJJKZCLCRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O4/c1-18-11-7-10(15-2-4-19-5-3-15)8(13)6-9(11)14-12(16)17/h6-7,14H,2-5H2,1H3,(H,16,17).
What are the key properties of (5-bromo-2-methoxy-4-morpholin-4-ylphenyl)carbamic acid?
(5-bromo-2-methoxy-4-morpholin-4-ylphenyl)carbamic acid has a molecular weight of 331.17 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-methoxy-4-morpholin-4-ylphenyl)carbamic acid is sourced from PubChem (CID 139510840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).