N-[(3-bromophenyl)methyl]cyclopent-3-ene-1-carboxamide

C13H14BrNO — CID 64767366

IUPACN-[(3-bromophenyl)methyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NCc1cccc(Br)c1)C1CC=CC1
InChIInChI=1S/C13H14BrNO/c14-12-7-3-4-10(8-12)9-15-13(16)11-5-1-2-6-11/h1-4,7-8,11H,5-6,9H2,(H,15,16)
InChIKeyCZYRXLBCWCVTCX-UHFFFAOYSA-N
MW280.16 g/mol
LogP3.03
Rot. Bonds3

About N-[(3-bromophenyl)methyl]cyclopent-3-ene-1-carboxamide

N-[(3-bromophenyl)methyl]cyclopent-3-ene-1-carboxamide (PubChem CID 64767366) has the molecular formula C13H14BrNO and a molecular weight of 280.16 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]cyclopent-3-ene-1-carboxamide
PubChem CID64767366
Molecular FormulaC13H14BrNO
Molecular Weight280.16 g/mol
Exact Mass279.03
IUPAC NameN-[(3-bromophenyl)methyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(NCc1cccc(Br)c1)C1CC=CC1
InChIInChI=1S/C13H14BrNO/c14-12-7-3-4-10(8-12)9-15-13(16)11-5-1-2-6-11/h1-4,7-8,11H,5-6,9H2,(H,15,16)
InChIKeyCZYRXLBCWCVTCX-UHFFFAOYSA-N
XLogP3.03
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.16
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[(cyclopent-3-ene-1-carbonylamino)methyl]phenyl]methyl]cyclopent-3-ene-1-carboxamide
CID 75437000
4-[(3-bromophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783652
N-[(3-sulfamoylphenyl)methyl]cyclopent-3-ene-1-carboxamide
CID 64766763
N-[(3-bromophenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 64866155
1-[(3-bromophenyl)methyl]-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 43917480
N-[(3-bromophenyl)methyl]-2-(2-chlorophenyl)cyclopropane-1-carboxamide
CID 55576532
N-[(3-bromophenyl)methyl]azepane-1-carboxamide
CID 60605583
N-[(3-bromophenyl)methyl]-2-chloroacetamide
CID 56923497
N-[(3-bromophenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119705770
3-acetyl-N-[(3-bromophenyl)methyl]bicyclo[1.1.1]pentane-1-carboxamide
CID 157254948
2-[(3-bromophenyl)methylcarbamoylamino]acetic acid
CID 16781261
methyl 3-[(3-bromophenyl)methylamino]-3-oxopropanoate
CID 115174358

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]cyclopent-3-ene-1-carboxamide (CID 64767366) is N-[(3-bromophenyl)methyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]cyclopent-3-ene-1-carboxamide is O=C(NCc1cccc(Br)c1)C1CC=CC1.
What is the InChIKey of N-[(3-bromophenyl)methyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is CZYRXLBCWCVTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNO/c14-12-7-3-4-10(8-12)9-15-13(16)11-5-1-2-6-11/h1-4,7-8,11H,5-6,9H2,(H,15,16).
What are the key properties of N-[(3-bromophenyl)methyl]cyclopent-3-ene-1-carboxamide?
N-[(3-bromophenyl)methyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 280.16 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 64767366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).