N-[(5S)-1-bromo-6-oxononan-5-yl]benzamide

C16H22BrNO2 — CID 162417578

IUPACN-[(5S)-1-bromo-6-oxononan-5-yl]benzamide
SMILESCCCC(=O)[C@H](CCCCBr)NC(=O)c1ccccc1
InChIInChI=1S/C16H22BrNO2/c1-2-8-15(19)14(11-6-7-12-17)18-16(20)13-9-4-3-5-10-13/h3-5,9-10,14H,2,6-8,11-12H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyFFMWPDAVQJIVCC-AWEZNQCLSA-N
MW340.26 g/mol
LogP3.72
Rot. Bonds9

About N-[(5S)-1-bromo-6-oxononan-5-yl]benzamide

N-[(5S)-1-bromo-6-oxononan-5-yl]benzamide (PubChem CID 162417578) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is N-[(5S)-1-bromo-6-oxononan-5-yl]benzamide.

Molecular Properties

Compound NameN-[(5S)-1-bromo-6-oxononan-5-yl]benzamide
PubChem CID162417578
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC NameN-[(5S)-1-bromo-6-oxononan-5-yl]benzamide
SMILESCCCC(=O)[C@H](CCCCBr)NC(=O)c1ccccc1
InChIInChI=1S/C16H22BrNO2/c1-2-8-15(19)14(11-6-7-12-17)18-16(20)13-9-4-3-5-10-13/h3-5,9-10,14H,2,6-8,11-12H2,1H3,(H,18,20)/t14-/m0/s1
InChIKeyFFMWPDAVQJIVCC-AWEZNQCLSA-N
XLogP3.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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(2S)-2-benzamido-3-bromopropanoic acid
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CID 157226633
(2S)-2-[(4-benzamidobenzoyl)amino]hexanoic acid
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CID 108731663
N-(1-chloropentyl)benzamide
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2-[[4-(phenylcarbamoyl)benzoyl]amino]hexanoic acid
CID 120537960
N-(1-bromo-2-oxobutyl)benzamide
CID 13139261
4-[[(1S)-1-carboxypentyl]carbamoyl]benzoic acid
CID 120615746
(2R)-2-[(4-phenylbenzoyl)amino]pentanoic acid
CID 126627406
N-[(2R)-6-amino-1-(hydroxyamino)-1-oxohexan-2-yl]benzamide
CID 20646768
ethyl (2S)-2-benzamido-5-(diaminomethylideneamino)pentanoate chloride
CID 45108589

Frequently Asked Questions

What is the IUPAC name of N-[(5S)-1-bromo-6-oxononan-5-yl]benzamide?
The IUPAC name of N-[(5S)-1-bromo-6-oxononan-5-yl]benzamide (CID 162417578) is N-[(5S)-1-bromo-6-oxononan-5-yl]benzamide.
What is the SMILES notation for N-[(5S)-1-bromo-6-oxononan-5-yl]benzamide?
The canonical SMILES for N-[(5S)-1-bromo-6-oxononan-5-yl]benzamide is CCCC(=O)[C@H](CCCCBr)NC(=O)c1ccccc1.
What is the InChIKey of N-[(5S)-1-bromo-6-oxononan-5-yl]benzamide?
The InChIKey is FFMWPDAVQJIVCC-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-2-8-15(19)14(11-6-7-12-17)18-16(20)13-9-4-3-5-10-13/h3-5,9-10,14H,2,6-8,11-12H2,1H3,(H,18,20)/t14-/m0/s1.
What are the key properties of N-[(5S)-1-bromo-6-oxononan-5-yl]benzamide?
N-[(5S)-1-bromo-6-oxononan-5-yl]benzamide has a molecular weight of 340.26 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5S)-1-bromo-6-oxononan-5-yl]benzamide is sourced from PubChem (CID 162417578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).