N-[1-(3-bromophenyl)ethyl]-1-methylcyclopentane-1-carboxamide

C15H20BrNO — CID 112726205

IUPACN-[1-(3-bromophenyl)ethyl]-1-methylcyclopentane-1-carboxamide
SMILESCC(NC(=O)C1(C)CCCC1)c1cccc(Br)c1
InChIInChI=1S/C15H20BrNO/c1-11(12-6-5-7-13(16)10-12)17-14(18)15(2)8-3-4-9-15/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,17,18)
InChIKeyPNPVANXOGPYHRR-UHFFFAOYSA-N
MW310.23 g/mol
LogP4.21
Rot. Bonds3

About N-[1-(3-bromophenyl)ethyl]-1-methylcyclopentane-1-carboxamide

N-[1-(3-bromophenyl)ethyl]-1-methylcyclopentane-1-carboxamide (PubChem CID 112726205) has the molecular formula C15H20BrNO and a molecular weight of 310.23 g/mol. Its IUPAC name is N-[1-(3-bromophenyl)ethyl]-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-bromophenyl)ethyl]-1-methylcyclopentane-1-carboxamide
PubChem CID112726205
Molecular FormulaC15H20BrNO
Molecular Weight310.23 g/mol
Exact Mass309.07
IUPAC NameN-[1-(3-bromophenyl)ethyl]-1-methylcyclopentane-1-carboxamide
SMILESCC(NC(=O)C1(C)CCCC1)c1cccc(Br)c1
InChIInChI=1S/C15H20BrNO/c1-11(12-6-5-7-13(16)10-12)17-14(18)15(2)8-3-4-9-15/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,17,18)
InChIKeyPNPVANXOGPYHRR-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.23
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3-aminophenyl)ethyl]-1-methylcyclohexane-1-carboxamide
CID 106826035
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CID 115444286
1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119716410
1-(aminomethyl)-N-[1-(3-bromophenyl)ethyl]cyclobutane-1-carboxamide
CID 113311577
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N-[1-(3-bromophenyl)ethyl]-1-carbamothioylcyclopropane-1-carboxamide
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2-(1-aminocyclopentyl)-N-[1-(3-bromophenyl)ethyl]acetamide
CID 64685994
N-[1-(3-bromophenyl)ethyl]-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopropane-1-carboxamide
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N-[1-(3,4-dichlorophenyl)ethyl]-1-methylcyclopentane-1-carboxamide
CID 134014985
N-[1-(3-bromophenyl)ethyl]-2-methylpropanamide
CID 55029103
1-[1-(3-bromophenyl)ethylcarbamoylamino]cyclobutane-1-carboxylic acid
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CID 81376466

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromophenyl)ethyl]-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[1-(3-bromophenyl)ethyl]-1-methylcyclopentane-1-carboxamide (CID 112726205) is N-[1-(3-bromophenyl)ethyl]-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[1-(3-bromophenyl)ethyl]-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[1-(3-bromophenyl)ethyl]-1-methylcyclopentane-1-carboxamide is CC(NC(=O)C1(C)CCCC1)c1cccc(Br)c1.
What is the InChIKey of N-[1-(3-bromophenyl)ethyl]-1-methylcyclopentane-1-carboxamide?
The InChIKey is PNPVANXOGPYHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO/c1-11(12-6-5-7-13(16)10-12)17-14(18)15(2)8-3-4-9-15/h5-7,10-11H,3-4,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-[1-(3-bromophenyl)ethyl]-1-methylcyclopentane-1-carboxamide?
N-[1-(3-bromophenyl)ethyl]-1-methylcyclopentane-1-carboxamide has a molecular weight of 310.23 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromophenyl)ethyl]-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 112726205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).