5-bromo-2-ethoxy-N-(1-phenylpropyl)benzamide

C18H20BrNO2 — CID 43911555

IUPAC5-bromo-2-ethoxy-N-(1-phenylpropyl)benzamide
SMILESCCOc1ccc(Br)cc1C(=O)NC(CC)c1ccccc1
InChIInChI=1S/C18H20BrNO2/c1-3-16(13-8-6-5-7-9-13)20-18(21)15-12-14(19)10-11-17(15)22-4-2/h5-12,16H,3-4H2,1-2H3,(H,20,21)
InChIKeyPOVQWZLWWDSTSQ-UHFFFAOYSA-N
MW362.27 g/mol
LogP4.73
Rot. Bonds6

About 5-bromo-2-ethoxy-N-(1-phenylpropyl)benzamide

5-bromo-2-ethoxy-N-(1-phenylpropyl)benzamide (PubChem CID 43911555) has the molecular formula C18H20BrNO2 and a molecular weight of 362.27 g/mol. Its IUPAC name is 5-bromo-2-ethoxy-N-(1-phenylpropyl)benzamide.

Molecular Properties

Compound Name5-bromo-2-ethoxy-N-(1-phenylpropyl)benzamide
PubChem CID43911555
Molecular FormulaC18H20BrNO2
Molecular Weight362.27 g/mol
Exact Mass361.07
IUPAC Name5-bromo-2-ethoxy-N-(1-phenylpropyl)benzamide
SMILESCCOc1ccc(Br)cc1C(=O)NC(CC)c1ccccc1
InChIInChI=1S/C18H20BrNO2/c1-3-16(13-8-6-5-7-9-13)20-18(21)15-12-14(19)10-11-17(15)22-4-2/h5-12,16H,3-4H2,1-2H3,(H,20,21)
InChIKeyPOVQWZLWWDSTSQ-UHFFFAOYSA-N
XLogP4.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.27
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-ethoxy-N-[(1R)-1-phenylethyl]benzamide
CID 975653
5-bromo-2-ethoxy-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 17352958
5-bromo-2-ethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2947744
N-(2-chloro-1-phenylethyl)-2-ethoxybenzamide
CID 114300243
3-[(5-bromo-2-heptoxybenzoyl)amino]-3-(4-phenylphenyl)propanoic acid
CID 68868895
5-bromo-2-ethoxy-N'-(2-phenylacetyl)benzohydrazide
CID 17353032
2,5-dibromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 104920633
2-(2-methylpropoxy)-N-(1-phenylpropyl)benzamide
CID 43911530
3-methoxy-N-[(1S)-1-phenylpropyl]naphthalene-2-carboxamide
CID 92675789
5-bromo-2-ethoxy-N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylbenzamide
CID 54856706
5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772690
N-(3-benzamidophenyl)-5-bromo-2-ethoxybenzamide
CID 17234910

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethoxy-N-(1-phenylpropyl)benzamide?
The IUPAC name of 5-bromo-2-ethoxy-N-(1-phenylpropyl)benzamide (CID 43911555) is 5-bromo-2-ethoxy-N-(1-phenylpropyl)benzamide.
What is the SMILES notation for 5-bromo-2-ethoxy-N-(1-phenylpropyl)benzamide?
The canonical SMILES for 5-bromo-2-ethoxy-N-(1-phenylpropyl)benzamide is CCOc1ccc(Br)cc1C(=O)NC(CC)c1ccccc1.
What is the InChIKey of 5-bromo-2-ethoxy-N-(1-phenylpropyl)benzamide?
The InChIKey is POVQWZLWWDSTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrNO2/c1-3-16(13-8-6-5-7-9-13)20-18(21)15-12-14(19)10-11-17(15)22-4-2/h5-12,16H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 5-bromo-2-ethoxy-N-(1-phenylpropyl)benzamide?
5-bromo-2-ethoxy-N-(1-phenylpropyl)benzamide has a molecular weight of 362.27 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethoxy-N-(1-phenylpropyl)benzamide is sourced from PubChem (CID 43911555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).