2-amino-N-[(4-bromophenyl)methyl]-1-methylcyclopentane-1-carboxamide

C14H19BrN2O — CID 82763604

IUPAC2-amino-N-[(4-bromophenyl)methyl]-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCc2ccc(Br)cc2)CCCC1N
InChIInChI=1S/C14H19BrN2O/c1-14(8-2-3-12(14)16)13(18)17-9-10-4-6-11(15)7-5-10/h4-7,12H,2-3,8-9,16H2,1H3,(H,17,18)
InChIKeyJIDRSTINQMUCJI-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.58
Rot. Bonds3

About 2-amino-N-[(4-bromophenyl)methyl]-1-methylcyclopentane-1-carboxamide

2-amino-N-[(4-bromophenyl)methyl]-1-methylcyclopentane-1-carboxamide (PubChem CID 82763604) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is 2-amino-N-[(4-bromophenyl)methyl]-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(4-bromophenyl)methyl]-1-methylcyclopentane-1-carboxamide
PubChem CID82763604
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC Name2-amino-N-[(4-bromophenyl)methyl]-1-methylcyclopentane-1-carboxamide
SMILESCC1(C(=O)NCc2ccc(Br)cc2)CCCC1N
InChIInChI=1S/C14H19BrN2O/c1-14(8-2-3-12(14)16)13(18)17-9-10-4-6-11(15)7-5-10/h4-7,12H,2-3,8-9,16H2,1H3,(H,17,18)
InChIKeyJIDRSTINQMUCJI-UHFFFAOYSA-N
XLogP2.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(4-hydroxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 114332102
2-amino-1-methyl-N-(pyridin-4-ylmethyl)cyclopentane-1-carboxamide
CID 82764201
2-amino-N-[(5-bromothiophen-2-yl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82765475
2-amino-N-[(3-fluorophenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 82763607
(4-bromophenyl)methyl 2-amino-1-methylcyclopentane-1-carboxylate
CID 82824967
2-amino-N-(4-bromo-2-methylphenyl)-1-methylcyclopentane-1-carboxamide
CID 82764963
2-amino-1-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentane-1-carboxamide
CID 114700240
2-amino-N-(4-bromo-2-chlorophenyl)-1-methylcyclopentane-1-carboxamide
CID 82765908
2-amino-1-methyl-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 114125275
2-amino-1-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 82768436
2-amino-N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide
CID 82767784
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 103292391

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(4-bromophenyl)methyl]-1-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-[(4-bromophenyl)methyl]-1-methylcyclopentane-1-carboxamide (CID 82763604) is 2-amino-N-[(4-bromophenyl)methyl]-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(4-bromophenyl)methyl]-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(4-bromophenyl)methyl]-1-methylcyclopentane-1-carboxamide is CC1(C(=O)NCc2ccc(Br)cc2)CCCC1N.
What is the InChIKey of 2-amino-N-[(4-bromophenyl)methyl]-1-methylcyclopentane-1-carboxamide?
The InChIKey is JIDRSTINQMUCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-14(8-2-3-12(14)16)13(18)17-9-10-4-6-11(15)7-5-10/h4-7,12H,2-3,8-9,16H2,1H3,(H,17,18).
What are the key properties of 2-amino-N-[(4-bromophenyl)methyl]-1-methylcyclopentane-1-carboxamide?
2-amino-N-[(4-bromophenyl)methyl]-1-methylcyclopentane-1-carboxamide has a molecular weight of 311.22 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(4-bromophenyl)methyl]-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 82763604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).