1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide

C16H23BrN2O — CID 120830481

IUPAC1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide
SMILESCNC(C)CNC(=O)C1(c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C16H23BrN2O/c1-12(18-2)11-19-15(20)16(9-3-4-10-16)13-5-7-14(17)8-6-13/h5-8,12,18H,3-4,9-11H2,1-2H3,(H,19,20)
InChIKeySJYIDIBVUWMIAP-UHFFFAOYSA-N
MW339.28 g/mol
LogP2.98
Rot. Bonds5

About 1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide

1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide (PubChem CID 120830481) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide
PubChem CID120830481
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide
SMILESCNC(C)CNC(=O)C1(c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C16H23BrN2O/c1-12(18-2)11-19-15(20)16(9-3-4-10-16)13-5-7-14(17)8-6-13/h5-8,12,18H,3-4,9-11H2,1-2H3,(H,19,20)
InChIKeySJYIDIBVUWMIAP-UHFFFAOYSA-N
XLogP2.98
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 120829002
1-(3-bromophenyl)-N-[2-(methylamino)propyl]cyclohexane-1-carboxamide
CID 120827705
1-(4-bromophenyl)-N-(2-hydroxypropyl)cyclobutane-1-carboxamide
CID 78855875
1-(4-bromophenyl)-N-(2-ethylbutyl)cyclopropane-1-carboxamide
CID 115612940
1-(4-bromophenyl)-N-pentan-3-ylcyclopentane-1-carboxamide
CID 46561555
1-[4-[(4-bromophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 46384158
1-(4-bromophenyl)-N-[2-(ethylamino)-2-oxoethyl]cyclopentane-1-carboxamide
CID 86920161
N-[2-(methylamino)propyl]-4-phenyloxane-4-carboxamide;hydrochloride
CID 120832802
1-(4-bromophenyl)-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclobutane-1-carboxamide
CID 112823540
1-(4-bromophenyl)-N-(2-hydroxyethyl)cyclobutane-1-carboxamide
CID 78845434
1-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide
CID 120652825
N-[(2R)-2-(ethylamino)propyl]-1-phenylcyclopentane-1-carboxamide;hydrochloride
CID 120650550

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide (CID 120830481) is 1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide is CNC(C)CNC(=O)C1(c2ccc(Br)cc2)CCCC1.
What is the InChIKey of 1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide?
The InChIKey is SJYIDIBVUWMIAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-12(18-2)11-19-15(20)16(9-3-4-10-16)13-5-7-14(17)8-6-13/h5-8,12,18H,3-4,9-11H2,1-2H3,(H,19,20).
What are the key properties of 1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide?
1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide has a molecular weight of 339.28 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[2-(methylamino)propyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 120830481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).