4-(bromomethyl)-N-[(1R)-1-cycloheptylethyl]benzamide

C17H24BrNO — CID 102851926

IUPAC4-(bromomethyl)-N-[(1R)-1-cycloheptylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(CBr)cc1)C1CCCCCC1
InChIInChI=1S/C17H24BrNO/c1-13(15-6-4-2-3-5-7-15)19-17(20)16-10-8-14(12-18)9-11-16/h8-11,13,15H,2-7,12H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyDEAGGWKFLAIRKL-CYBMUJFWSA-N
MW338.29 g/mol
LogP4.67
Rot. Bonds4

About 4-(bromomethyl)-N-[(1R)-1-cycloheptylethyl]benzamide

4-(bromomethyl)-N-[(1R)-1-cycloheptylethyl]benzamide (PubChem CID 102851926) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 4-(bromomethyl)-N-[(1R)-1-cycloheptylethyl]benzamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-[(1R)-1-cycloheptylethyl]benzamide
PubChem CID102851926
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name4-(bromomethyl)-N-[(1R)-1-cycloheptylethyl]benzamide
SMILESC[C@@H](NC(=O)c1ccc(CBr)cc1)C1CCCCCC1
InChIInChI=1S/C17H24BrNO/c1-13(15-6-4-2-3-5-7-15)19-17(20)16-10-8-14(12-18)9-11-16/h8-11,13,15H,2-7,12H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyDEAGGWKFLAIRKL-CYBMUJFWSA-N
XLogP4.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-[(1S)-1-cycloheptylethyl]benzamide
CID 81392809
N-[(1S)-1-cyclohexylethyl]-4-[4-[[(1S)-1-cyclohexylethyl]carbamoyl]phenyl]benzamide
CID 132596984
4-amino-N-(1-cyclopentylethyl)benzamide;hydrochloride
CID 119782446
4-bromo-N-(1-cyclohexylethyl)-3-hydroxybenzamide
CID 103873468
4-(3-aminoprop-1-ynyl)-N-(1-cyclohexylethyl)benzamide
CID 62406547
5-bromo-N-(1-cyclohexylethyl)furan-2-carboxamide
CID 55069127
4-amino-3-bromo-N-[(1R)-1-cycloheptylethyl]benzamide
CID 81392320
3-(aminomethyl)-N-(1-cyclohexylethyl)benzamide
CID 55069258
4-(bromomethyl)-N-(2-cyclopropylpropyl)benzamide
CID 102852082
3-chloro-N-(1-cyclohexylethyl)-4-hydroxybenzamide
CID 62407060
N-[(1R)-1-cyclohexylethyl]-4-[2-(4-methoxyphenyl)ethynyl]benzamide
CID 56587993
3-bromo-N-(1-cyclohexylethyl)-4-methoxybenzamide
CID 62407763

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-[(1R)-1-cycloheptylethyl]benzamide?
The IUPAC name of 4-(bromomethyl)-N-[(1R)-1-cycloheptylethyl]benzamide (CID 102851926) is 4-(bromomethyl)-N-[(1R)-1-cycloheptylethyl]benzamide.
What is the SMILES notation for 4-(bromomethyl)-N-[(1R)-1-cycloheptylethyl]benzamide?
The canonical SMILES for 4-(bromomethyl)-N-[(1R)-1-cycloheptylethyl]benzamide is C[C@@H](NC(=O)c1ccc(CBr)cc1)C1CCCCCC1.
What is the InChIKey of 4-(bromomethyl)-N-[(1R)-1-cycloheptylethyl]benzamide?
The InChIKey is DEAGGWKFLAIRKL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-13(15-6-4-2-3-5-7-15)19-17(20)16-10-8-14(12-18)9-11-16/h8-11,13,15H,2-7,12H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of 4-(bromomethyl)-N-[(1R)-1-cycloheptylethyl]benzamide?
4-(bromomethyl)-N-[(1R)-1-cycloheptylethyl]benzamide has a molecular weight of 338.29 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-[(1R)-1-cycloheptylethyl]benzamide is sourced from PubChem (CID 102851926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).