3-amino-N-[2-[(3-bromophenyl)methyl]butyl]cyclopentane-1-carboxamide;hydrochloride

C17H26BrClN2O — CID 119796434

IUPAC3-amino-N-[2-[(3-bromophenyl)methyl]butyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCCC(CNC(=O)C1CCC(N)C1)Cc1cccc(Br)c1.Cl
InChIInChI=1S/C17H25BrN2O.ClH/c1-2-12(8-13-4-3-5-15(18)9-13)11-20-17(21)14-6-7-16(19)10-14;/h3-5,9,12,14,16H,2,6-8,10-11,19H2,1H3,(H,20,21);1H
InChIKeyQFTDCNRCYOOMBL-UHFFFAOYSA-N
MW389.77 g/mol
LogP3.68
Rot. Bonds6

About 3-amino-N-[2-[(3-bromophenyl)methyl]butyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[2-[(3-bromophenyl)methyl]butyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119796434) has the molecular formula C17H26BrClN2O and a molecular weight of 389.77 g/mol. Its IUPAC name is 3-amino-N-[2-[(3-bromophenyl)methyl]butyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[2-[(3-bromophenyl)methyl]butyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119796434
Molecular FormulaC17H26BrClN2O
Molecular Weight389.77 g/mol
Exact Mass388.09
IUPAC Name3-amino-N-[2-[(3-bromophenyl)methyl]butyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCCC(CNC(=O)C1CCC(N)C1)Cc1cccc(Br)c1.Cl
InChIInChI=1S/C17H25BrN2O.ClH/c1-2-12(8-13-4-3-5-15(18)9-13)11-20-17(21)14-6-7-16(19)10-14;/h3-5,9,12,14,16H,2,6-8,10-11,19H2,1H3,(H,20,21);1H
InChIKeyQFTDCNRCYOOMBL-UHFFFAOYSA-N
XLogP3.68
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.77
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[2-[(3-bromophenyl)methyl]butyl]-2-methylpropanamide
CID 119330786
3-amino-N-[(1R)-1-(3-bromophenyl)ethyl]cyclopentane-1-carboxamide
CID 81376252
N-[2-[(3-bromophenyl)methyl]butyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119796446
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119702505
3-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119765481
3-amino-N-[(4-bromo-2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119780965
3-[2-[(3-bromophenyl)methyl]butylcarbamoyl-methylamino]propanoic acid
CID 122002885
N-[2-[(3-bromophenyl)methyl]butyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939586
3-amino-N-[1-(4-bromophenyl)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119734872
3-amino-N-[(4-bromophenyl)methyl]cyclopentane-1-carboxamide
CID 66030877
3-amino-N-[2-(2-bromophenoxy)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119804683
3-[[(3-aminocyclopentanecarbonyl)amino]methyl]benzamide;hydrochloride
CID 119719918

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-[(3-bromophenyl)methyl]butyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[2-[(3-bromophenyl)methyl]butyl]cyclopentane-1-carboxamide;hydrochloride (CID 119796434) is 3-amino-N-[2-[(3-bromophenyl)methyl]butyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[2-[(3-bromophenyl)methyl]butyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[2-[(3-bromophenyl)methyl]butyl]cyclopentane-1-carboxamide;hydrochloride is CCC(CNC(=O)C1CCC(N)C1)Cc1cccc(Br)c1.Cl.
What is the InChIKey of 3-amino-N-[2-[(3-bromophenyl)methyl]butyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is QFTDCNRCYOOMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25BrN2O.ClH/c1-2-12(8-13-4-3-5-15(18)9-13)11-20-17(21)14-6-7-16(19)10-14;/h3-5,9,12,14,16H,2,6-8,10-11,19H2,1H3,(H,20,21);1H.
What are the key properties of 3-amino-N-[2-[(3-bromophenyl)methyl]butyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[2-[(3-bromophenyl)methyl]butyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 389.77 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-[(3-bromophenyl)methyl]butyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119796434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).