N-[1-(2-bromophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide

C15H20BrNO2 — CID 110016308

IUPACN-[1-(2-bromophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide
SMILESCCC(NC(=O)C1CCCC1O)c1ccccc1Br
InChIInChI=1S/C15H20BrNO2/c1-2-13(10-6-3-4-8-12(10)16)17-15(19)11-7-5-9-14(11)18/h3-4,6,8,11,13-14,18H,2,5,7,9H2,1H3,(H,17,19)
InChIKeyUWKVRQGHHZVWDD-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.18
Rot. Bonds4

About N-[1-(2-bromophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide

N-[1-(2-bromophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide (PubChem CID 110016308) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide
PubChem CID110016308
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC NameN-[1-(2-bromophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide
SMILESCCC(NC(=O)C1CCCC1O)c1ccccc1Br
InChIInChI=1S/C15H20BrNO2/c1-2-13(10-6-3-4-8-12(10)16)17-15(19)11-7-5-9-14(11)18/h3-4,6,8,11,13-14,18H,2,5,7,9H2,1H3,(H,17,19)
InChIKeyUWKVRQGHHZVWDD-UHFFFAOYSA-N
XLogP3.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 64823134
2-hydroxy-N-[1-(2-methoxyphenyl)-3-methylbutyl]cyclopentane-1-carboxamide
CID 110016070
2-(aminomethyl)-N-[(1R)-1-(2-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 81384002
2-hydroxy-N-(1-phenylbutan-2-yl)cyclopentane-1-carboxamide
CID 110015652
N-(2-bromo-1-phenylethyl)-2-methylcyclopentane-1-carboxamide
CID 107184155
(2R)-2-[1-(2-bromophenyl)propylamino]propan-1-ol
CID 103778600
N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 9220068
N-[1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 18111915
2-[1-(4-methylphenyl)propylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978215
2-[1-(2-bromophenyl)propylamino]ethanol
CID 115707470
N-[(1R)-1-(2-bromophenyl)propyl]-2-(1,2-oxazol-3-yl)acetamide
CID 97096426
N-[1-(2-bromophenyl)-3-hydroxypropyl]-3-hydroxy-3-methylcyclobutane-1-carboxamide
CID 136545999

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[1-(2-bromophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide (CID 110016308) is N-[1-(2-bromophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(2-bromophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(2-bromophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide is CCC(NC(=O)C1CCCC1O)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide?
The InChIKey is UWKVRQGHHZVWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-2-13(10-6-3-4-8-12(10)16)17-15(19)11-7-5-9-14(11)18/h3-4,6,8,11,13-14,18H,2,5,7,9H2,1H3,(H,17,19).
What are the key properties of N-[1-(2-bromophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide?
N-[1-(2-bromophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide has a molecular weight of 326.23 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)propyl]-2-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 110016308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).