N-[3-(bromomethyl)phenyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide

C17H24BrNO — CID 114307329

IUPACN-[3-(bromomethyl)phenyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CC1(C(=O)Nc2cccc(CBr)c2)CCCC1
InChIInChI=1S/C17H24BrNO/c1-13(2)11-17(8-3-4-9-17)16(20)19-15-7-5-6-14(10-15)12-18/h5-7,10,13H,3-4,8-9,11-12H2,1-2H3,(H,19,20)
InChIKeyASDTWDPBXGITEA-UHFFFAOYSA-N
MW338.29 g/mol
LogP5.13
Rot. Bonds5

About N-[3-(bromomethyl)phenyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide

N-[3-(bromomethyl)phenyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide (PubChem CID 114307329) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[3-(bromomethyl)phenyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(bromomethyl)phenyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
PubChem CID114307329
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC NameN-[3-(bromomethyl)phenyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
SMILESCC(C)CC1(C(=O)Nc2cccc(CBr)c2)CCCC1
InChIInChI=1S/C17H24BrNO/c1-13(2)11-17(8-3-4-9-17)16(20)19-15-7-5-6-14(10-15)12-18/h5-7,10,13H,3-4,8-9,11-12H2,1-2H3,(H,19,20)
InChIKeyASDTWDPBXGITEA-UHFFFAOYSA-N
XLogP5.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.29
LogP ≤ 55.13
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-(bromomethyl)phenyl]methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 107233782
N-(5-bromo-3-pyridinyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 114223341
1-(aminomethyl)-N-[3-(2-methylpropanoylamino)phenyl]cyclopentane-1-carboxamide
CID 119709721
N-(6-fluoro-2-pyridinyl)-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 113456865
3-ethyl-N-(3-ethylphenyl)pyrrolidine-3-carboxamide
CID 55165902
N-(3-cyanophenyl)-1-(3-methylbutyl)cyclohexane-1-carboxamide
CID 141114717
1-amino-N-[3-(propan-2-ylsulfonylmethyl)phenyl]cyclopentane-1-carboxamide
CID 119324028
N-(3-bromophenyl)-3-ethylpiperidine-3-carboxamide
CID 63132260
2-[3-[(1-ethylcyclopropanecarbonyl)amino]phenyl]acetic acid
CID 119351811
1-amino-N-[3-(propan-2-yloxymethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119306290
1-(aminomethyl)-N-(3-butan-2-yloxyphenyl)cyclobutane-1-carboxamide
CID 80587158
1-(aminomethyl)-N-[3-(2-methylpropoxy)phenyl]cyclobutane-1-carboxamide
CID 115447865

Frequently Asked Questions

What is the IUPAC name of N-[3-(bromomethyl)phenyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The IUPAC name of N-[3-(bromomethyl)phenyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide (CID 114307329) is N-[3-(bromomethyl)phenyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-[3-(bromomethyl)phenyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-[3-(bromomethyl)phenyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide is CC(C)CC1(C(=O)Nc2cccc(CBr)c2)CCCC1.
What is the InChIKey of N-[3-(bromomethyl)phenyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
The InChIKey is ASDTWDPBXGITEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-13(2)11-17(8-3-4-9-17)16(20)19-15-7-5-6-14(10-15)12-18/h5-7,10,13H,3-4,8-9,11-12H2,1-2H3,(H,19,20).
What are the key properties of N-[3-(bromomethyl)phenyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide?
N-[3-(bromomethyl)phenyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide has a molecular weight of 338.29 g/mol, XLogP of 5.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(bromomethyl)phenyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 114307329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).