2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide

C16H13BrN2O3 — CID 30873503

IUPAC2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccc(OCC#N)cc2)c1
InChIInChI=1S/C16H13BrN2O3/c1-21-13-6-7-15(17)14(10-13)16(20)19-11-2-4-12(5-3-11)22-9-8-18/h2-7,10H,9H2,1H3,(H,19,20)
InChIKeyRHIBRRCSEANBKB-UHFFFAOYSA-N
MW361.20 g/mol
LogP3.61
Rot. Bonds5

About 2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide

2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide (PubChem CID 30873503) has the molecular formula C16H13BrN2O3 and a molecular weight of 361.20 g/mol. Its IUPAC name is 2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide
PubChem CID30873503
Molecular FormulaC16H13BrN2O3
Molecular Weight361.20 g/mol
Exact Mass360.01
IUPAC Name2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)Nc2ccc(OCC#N)cc2)c1
InChIInChI=1S/C16H13BrN2O3/c1-21-13-6-7-15(17)14(10-13)16(20)19-11-2-4-12(5-3-11)22-9-8-18/h2-7,10H,9H2,1H3,(H,19,20)
InChIKeyRHIBRRCSEANBKB-UHFFFAOYSA-N
XLogP3.61
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-5-methoxybenzamide
CID 112789539
2-bromo-5-methoxy-N-(4-propan-2-yloxyphenyl)benzamide
CID 55749089
4-bromo-N-[4-(cyanomethoxy)phenyl]-3-methylbenzamide
CID 115769505
4-bromo-N-[4-(cyanomethoxy)phenyl]-2-methylbenzamide
CID 43629917
4-bromo-N-[4-(cyanomethoxy)phenyl]-3-hydroxybenzamide
CID 103956272
3,5-dibromo-N-[4-(cyanomethoxy)phenyl]benzamide
CID 103907443
2-bromo-5-methoxy-N-[4-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 55865424
2-bromo-N-[4-(cyclopropanecarbonylamino)phenyl]-5-methoxybenzamide
CID 42470780
2-bromo-5-methoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 27645934
2-bromo-N-(3-hydroxyphenyl)-5-methoxybenzamide
CID 28739934
2-bromo-N-[4-(cyanomethoxy)phenyl]pyridine-3-carboxamide
CID 103751975
N-(3-amino-4-ethylphenyl)-2-bromo-5-methoxybenzamide
CID 43550231

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide (CID 30873503) is 2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide is COc1ccc(Br)c(C(=O)Nc2ccc(OCC#N)cc2)c1.
What is the InChIKey of 2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide?
The InChIKey is RHIBRRCSEANBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O3/c1-21-13-6-7-15(17)14(10-13)16(20)19-11-2-4-12(5-3-11)22-9-8-18/h2-7,10H,9H2,1H3,(H,19,20).
What are the key properties of 2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide?
2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide has a molecular weight of 361.20 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(cyanomethoxy)phenyl]-5-methoxybenzamide is sourced from PubChem (CID 30873503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).