2-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]-5-methoxybenzamide

C19H22BrNO3 — CID 99872851

IUPAC2-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCC[C@@H](CCO)c2ccccc2)c1
InChIInChI=1S/C19H22BrNO3/c1-24-16-7-8-18(20)17(13-16)19(23)21-11-9-15(10-12-22)14-5-3-2-4-6-14/h2-8,13,15,22H,9-12H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyVRMDLDMJVOBVDM-HNNXBMFYSA-N
MW392.29 g/mol
LogP3.74
Rot. Bonds8

About 2-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]-5-methoxybenzamide

2-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]-5-methoxybenzamide (PubChem CID 99872851) has the molecular formula C19H22BrNO3 and a molecular weight of 392.29 g/mol. Its IUPAC name is 2-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]-5-methoxybenzamide
PubChem CID99872851
Molecular FormulaC19H22BrNO3
Molecular Weight392.29 g/mol
Exact Mass391.08
IUPAC Name2-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]-5-methoxybenzamide
SMILESCOc1ccc(Br)c(C(=O)NCC[C@@H](CCO)c2ccccc2)c1
InChIInChI=1S/C19H22BrNO3/c1-24-16-7-8-18(20)17(13-16)19(23)21-11-9-15(10-12-22)14-5-3-2-4-6-14/h2-8,13,15,22H,9-12H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyVRMDLDMJVOBVDM-HNNXBMFYSA-N
XLogP3.74
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(3S)-5-hydroxy-3-methylpentyl]-5-methoxybenzamide
CID 125144555
N-(5-hydroxy-3-phenylpentyl)-4-methoxybenzamide
CID 121112144
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
2-bromo-5-methoxy-N-(3-methyl-2-phenylbutyl)benzamide
CID 46447047
1-(5-hydroxy-3-phenylpentyl)-3-(4-methoxyphenyl)urea
CID 121112426
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
2-bromo-N-(4-chloropentyl)-5-methoxybenzamide
CID 114147401
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429716
2-chloro-N-[(3S)-5-hydroxy-3-phenylpentyl]benzamide
CID 99872819
2-bromo-N-(2-chloro-1-phenylethyl)-5-methoxybenzamide
CID 114300077
4-ethoxy-N-(5-hydroxy-3-phenylpentyl)benzamide
CID 121112163
2-bromo-N-(4-chlorobutyl)-5-methoxybenzamide
CID 106845438

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]-5-methoxybenzamide?
The IUPAC name of 2-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]-5-methoxybenzamide (CID 99872851) is 2-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]-5-methoxybenzamide.
What is the SMILES notation for 2-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]-5-methoxybenzamide?
The canonical SMILES for 2-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]-5-methoxybenzamide is COc1ccc(Br)c(C(=O)NCC[C@@H](CCO)c2ccccc2)c1.
What is the InChIKey of 2-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]-5-methoxybenzamide?
The InChIKey is VRMDLDMJVOBVDM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22BrNO3/c1-24-16-7-8-18(20)17(13-16)19(23)21-11-9-15(10-12-22)14-5-3-2-4-6-14/h2-8,13,15,22H,9-12H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of 2-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]-5-methoxybenzamide?
2-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]-5-methoxybenzamide has a molecular weight of 392.29 g/mol, XLogP of 3.74, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3S)-5-hydroxy-3-phenylpentyl]-5-methoxybenzamide is sourced from PubChem (CID 99872851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).