3-(4-bromophenyl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide

C15H18BrNO2 — CID 76945789

IUPAC3-(4-bromophenyl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Br)cc1)NC1(CO)CCCC1
InChIInChI=1S/C15H18BrNO2/c16-13-6-3-12(4-7-13)5-8-14(19)17-15(11-18)9-1-2-10-15/h3-8,18H,1-2,9-11H2,(H,17,19)
InChIKeyYLRWVFDDIIDLBS-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.88
Rot. Bonds4

About 3-(4-bromophenyl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide

3-(4-bromophenyl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide (PubChem CID 76945789) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
PubChem CID76945789
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC Name3-(4-bromophenyl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
SMILESO=C(C=Cc1ccc(Br)cc1)NC1(CO)CCCC1
InChIInChI=1S/C15H18BrNO2/c16-13-6-3-12(4-7-13)5-8-14(19)17-15(11-18)9-1-2-10-15/h3-8,18H,1-2,9-11H2,(H,17,19)
InChIKeyYLRWVFDDIIDLBS-UHFFFAOYSA-N
XLogP2.88
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[1-(hydroxymethyl)cyclobutyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 115878144
(E)-3-[4-(dimethylamino)phenyl]-N-[1-(hydroxymethyl)cyclobutyl]prop-2-enamide
CID 115878274
3-(3-chlorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 76945718
2-[1-[3-(4-methylphenyl)prop-2-enoylamino]cyclopentyl]acetic acid
CID 77058445
(E)-N-[4-(hydroxymethyl)oxan-4-yl]-3-(4-methylphenyl)prop-2-enamide
CID 103954316
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 62523655
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-(4-methylphenyl)prop-2-enamide
CID 76946111
(E)-3-(3-bromophenyl)-N-[4-(hydroxymethyl)oxan-4-yl]prop-2-enamide
CID 104630601
3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 76945736
(E)-3-(furan-2-yl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 62517867
4-[[1-(hydroxymethyl)cyclohexyl]amino]-4-oxobut-2-enoic acid
CID 76946471
N-[1-(aminomethyl)cyclopentyl]-3-(4-nitrophenyl)prop-2-enamide
CID 77011092

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide?
The IUPAC name of 3-(4-bromophenyl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide (CID 76945789) is 3-(4-bromophenyl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide?
The canonical SMILES for 3-(4-bromophenyl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide is O=C(C=Cc1ccc(Br)cc1)NC1(CO)CCCC1.
What is the InChIKey of 3-(4-bromophenyl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide?
The InChIKey is YLRWVFDDIIDLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c16-13-6-3-12(4-7-13)5-8-14(19)17-15(11-18)9-1-2-10-15/h3-8,18H,1-2,9-11H2,(H,17,19).
What are the key properties of 3-(4-bromophenyl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide?
3-(4-bromophenyl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide has a molecular weight of 324.22 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-[1-(hydroxymethyl)cyclopentyl]prop-2-enamide is sourced from PubChem (CID 76945789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).