N-[4-(bromomethyl)cyclohexyl]-3-phenylpropanamide

C16H22BrNO — CID 112752998

IUPACN-[4-(bromomethyl)cyclohexyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCC(CBr)CC1
InChIInChI=1S/C16H22BrNO/c17-12-14-6-9-15(10-7-14)18-16(19)11-8-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,18,19)
InChIKeyGNBWUXUJFLUJQU-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.69
Rot. Bonds5

About N-[4-(bromomethyl)cyclohexyl]-3-phenylpropanamide

N-[4-(bromomethyl)cyclohexyl]-3-phenylpropanamide (PubChem CID 112752998) has the molecular formula C16H22BrNO and a molecular weight of 324.26 g/mol. Its IUPAC name is N-[4-(bromomethyl)cyclohexyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[4-(bromomethyl)cyclohexyl]-3-phenylpropanamide
PubChem CID112752998
Molecular FormulaC16H22BrNO
Molecular Weight324.26 g/mol
Exact Mass323.09
IUPAC NameN-[4-(bromomethyl)cyclohexyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)NC1CCC(CBr)CC1
InChIInChI=1S/C16H22BrNO/c17-12-14-6-9-15(10-7-14)18-16(19)11-8-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,18,19)
InChIKeyGNBWUXUJFLUJQU-UHFFFAOYSA-N
XLogP3.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.69
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

N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 78786023
3-phenyl-N-piperidin-4-ylpropanamide
CID 16795625
N-cyclopropyl-2-phenylacetamide
CID 5175687
N-[4-(bromomethyl)cyclohexyl]-2-(4-bromophenyl)acetamide
CID 112752975
N-(cyclopropylmethyl)-3-phenylpropanamide
CID 51076426
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
2-[4-(3-phenylpropanoylamino)piperidine-1-carbonyl]benzoic acid
CID 113083308
N-[1-(3-chloropropanoyl)piperidin-4-yl]-3-phenylpropanamide
CID 108561867
3-phenyl-N-(1-prop-2-enylpiperidin-4-yl)propanamide
CID 51081790
N-(6,7-dihydro-5H-cyclopenta[b]pyrazin-6-yl)-3-phenylpropanamide
CID 167947656
N-(1-benzylpiperidin-4-yl)-3-(3-bromophenyl)propanamide
CID 127122392

Frequently Asked Questions

What is the IUPAC name of N-[4-(bromomethyl)cyclohexyl]-3-phenylpropanamide?
The IUPAC name of N-[4-(bromomethyl)cyclohexyl]-3-phenylpropanamide (CID 112752998) is N-[4-(bromomethyl)cyclohexyl]-3-phenylpropanamide.
What is the SMILES notation for N-[4-(bromomethyl)cyclohexyl]-3-phenylpropanamide?
The canonical SMILES for N-[4-(bromomethyl)cyclohexyl]-3-phenylpropanamide is O=C(CCc1ccccc1)NC1CCC(CBr)CC1.
What is the InChIKey of N-[4-(bromomethyl)cyclohexyl]-3-phenylpropanamide?
The InChIKey is GNBWUXUJFLUJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO/c17-12-14-6-9-15(10-7-14)18-16(19)11-8-13-4-2-1-3-5-13/h1-5,14-15H,6-12H2,(H,18,19).
What are the key properties of N-[4-(bromomethyl)cyclohexyl]-3-phenylpropanamide?
N-[4-(bromomethyl)cyclohexyl]-3-phenylpropanamide has a molecular weight of 324.26 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(bromomethyl)cyclohexyl]-3-phenylpropanamide is sourced from PubChem (CID 112752998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).