2-bromo-N,N-diethyl-5-phenylmethoxybenzamide

C18H20BrNO2 — CID 156880220

IUPAC2-bromo-N,N-diethyl-5-phenylmethoxybenzamide
SMILESCCN(CC)C(=O)c1cc(OCc2ccccc2)ccc1Br
InChIInChI=1S/C18H20BrNO2/c1-3-20(4-2)18(21)16-12-15(10-11-17(16)19)22-13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3
InChIKeyIHKMWKYPFAOBJM-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.51
Rot. Bonds6

About 2-bromo-N,N-diethyl-5-phenylmethoxybenzamide

2-bromo-N,N-diethyl-5-phenylmethoxybenzamide (PubChem CID 156880220) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 2-bromo-N,N-diethyl-5-phenylmethoxybenzamide.

Molecular Properties

Compound Name2-bromo-N,N-diethyl-5-phenylmethoxybenzamide
PubChem CID156880220
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name2-bromo-N,N-diethyl-5-phenylmethoxybenzamide
SMILESCCN(CC)C(=O)c1cc(OCc2ccccc2)ccc1Br
InChIInChI=1S/C18H20BrNO2/c1-3-20(4-2)18(21)16-12-15(10-11-17(16)19)22-13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3
InChIKeyIHKMWKYPFAOBJM-UHFFFAOYSA-N
XLogP4.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromo-5-phenylmethoxyphenyl)propan-1-one
CID 83988722
2-bromo-5-phenylmethoxybenzoic acid
CID 15891190
N,N-diethyl-2-formyl-4-phenylmethoxybenzamide
CID 82544299
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
1-(2-bromo-4-phenylmethoxyphenyl)ethanone
CID 70433955
2-bromo-N-ethyl-5-methoxy-N-(2-methylpropyl)benzamide
CID 60741091
2-bromo-5-methoxy-N-[(4-phenylmethoxyphenyl)methyl]benzamide
CID 46590406
ethane;4-phenylmethoxyphthalic acid
CID 90802135
5-chloro-N,N-diethyl-2-phenylmethoxybenzamide
CID 8799985
N-benzyl-2-bromo-N-(2-hydroxyethyl)-5-methoxybenzamide
CID 78796018
2-bromo-N-(3-chloropropyl)-N-ethyl-5-methoxybenzamide
CID 113469141
2-N,2-N-dimethyl-4-phenylmethoxybenzene-1,2-dicarboxamide
CID 69299072

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-diethyl-5-phenylmethoxybenzamide?
The IUPAC name of 2-bromo-N,N-diethyl-5-phenylmethoxybenzamide (CID 156880220) is 2-bromo-N,N-diethyl-5-phenylmethoxybenzamide.
What is the SMILES notation for 2-bromo-N,N-diethyl-5-phenylmethoxybenzamide?
The canonical SMILES for 2-bromo-N,N-diethyl-5-phenylmethoxybenzamide is CCN(CC)C(=O)c1cc(OCc2ccccc2)ccc1Br.
What is the InChIKey of 2-bromo-N,N-diethyl-5-phenylmethoxybenzamide?
The InChIKey is IHKMWKYPFAOBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-3-20(4-2)18(21)16-12-15(10-11-17(16)19)22-13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 2-bromo-N,N-diethyl-5-phenylmethoxybenzamide?
2-bromo-N,N-diethyl-5-phenylmethoxybenzamide has a molecular weight of 362.27 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-diethyl-5-phenylmethoxybenzamide is sourced from PubChem (CID 156880220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).