1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide

C17H24BrNO — CID 46561555

IUPAC1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide
SMILESCCC(CC)NC(=O)C1(c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C17H24BrNO/c1-3-15(4-2)19-16(20)17(11-5-6-12-17)13-7-9-14(18)10-8-13/h7-10,15H,3-6,11-12H2,1-2H3,(H,19,20)
InChIKeyJNWNPZTYNYJQLV-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.57
Rot. Bonds5

About 1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide

1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide (PubChem CID 46561555) has the molecular formula C17H24BrNO and a molecular weight of 338.29 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide
PubChem CID46561555
Molecular FormulaC17H24BrNO
Molecular Weight338.29 g/mol
Exact Mass337.10
IUPAC Name1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide
SMILESCCC(CC)NC(=O)C1(c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C17H24BrNO/c1-3-15(4-2)19-16(20)17(11-5-6-12-17)13-7-9-14(18)10-8-13/h7-10,15H,3-6,11-12H2,1-2H3,(H,19,20)
InChIKeyJNWNPZTYNYJQLV-UHFFFAOYSA-N
XLogP4.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(4-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide
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4-(4-bromophenyl)-N-[(2R)-butan-2-yl]oxane-4-carboxamide
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1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
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1-(4-bromophenyl)-N-[(2R)-4-methoxybutan-2-yl]cyclobutane-1-carboxamide
CID 52843334
1-(4-bromophenyl)-N-[3-(propanoylamino)phenyl]cyclopentane-1-carboxamide
CID 28624202
1-(4-chlorophenyl)-N-(1-hydroxybutan-2-yl)cyclopropane-1-carboxamide
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1-(4-bromophenyl)-N-(1-ethoxypropan-2-yl)cyclopropane-1-carboxamide
CID 47901796
1-(4-bromophenyl)-N-[1-[4-(carbamoylamino)phenyl]ethyl]cyclopentane-1-carboxamide
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CID 78845434

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide (CID 46561555) is 1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide is CCC(CC)NC(=O)C1(c2ccc(Br)cc2)CCCC1.
What is the InChIKey of 1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide?
The InChIKey is JNWNPZTYNYJQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrNO/c1-3-15(4-2)19-16(20)17(11-5-6-12-17)13-7-9-14(18)10-8-13/h7-10,15H,3-6,11-12H2,1-2H3,(H,19,20).
What are the key properties of 1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide?
1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide has a molecular weight of 338.29 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide is sourced from PubChem (CID 46561555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).