2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide

C16H22F2N2O — CID 82764206

IUPAC2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide
SMILESCCN(Cc1ccc(F)c(F)c1)C(=O)C1(C)CCCC1N
InChIInChI=1S/C16H22F2N2O/c1-3-20(10-11-6-7-12(17)13(18)9-11)15(21)16(2)8-4-5-14(16)19/h6-7,9,14H,3-5,8,10,19H2,1-2H3
InChIKeyDHFDSIVEEHDREI-UHFFFAOYSA-N
MW296.36 g/mol
LogP2.83
Rot. Bonds4

About 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide

2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide (PubChem CID 82764206) has the molecular formula C16H22F2N2O and a molecular weight of 296.36 g/mol. Its IUPAC name is 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide
PubChem CID82764206
Molecular FormulaC16H22F2N2O
Molecular Weight296.36 g/mol
Exact Mass296.17
IUPAC Name2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide
SMILESCCN(Cc1ccc(F)c(F)c1)C(=O)C1(C)CCCC1N
InChIInChI=1S/C16H22F2N2O/c1-3-20(10-11-6-7-12(17)13(18)9-11)15(21)16(2)8-4-5-14(16)19/h6-7,9,14H,3-5,8,10,19H2,1-2H3
InChIKeyDHFDSIVEEHDREI-UHFFFAOYSA-N
XLogP2.83
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Ksp-IA
CID 24901494
(1S)-1-{[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]carbonyl}-2,2-dimethylpropylamine
CID 24901496
N-(4-fluorobenzyl)pentanamide
CID 1741622
3-amino-1-[(2S)-4-(2,5-difluorophenyl)-2-phenyl-2,5-dihydro-1H-pyrrol-1-yl]-2,2-dimethylpropan-1-one
CID 24901493
3-acetamido-N-cyclohexyl-N-methyl-3-phenylpropanamide
CID 4786488
2-[[2-(cyclopentylamino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9363380
N-[(2-fluorophenyl)methyl]-2,2-dimethylbutanamide
CID 121446730
N-[(2,4-difluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446757
N-[(2,3-difluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446778
N-[(2,5-difluorophenyl)methyl]-N,2,2-trimethylbutanamide
CID 121446783
N-(1-benzylpiperidin-4-yl)-2,2-dimethylpropanamide
CID 5074234
Miramistin ion
CID 72950

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide (CID 82764206) is 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide is CCN(Cc1ccc(F)c(F)c1)C(=O)C1(C)CCCC1N.
What is the InChIKey of 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide?
The InChIKey is DHFDSIVEEHDREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O/c1-3-20(10-11-6-7-12(17)13(18)9-11)15(21)16(2)8-4-5-14(16)19/h6-7,9,14H,3-5,8,10,19H2,1-2H3.
What are the key properties of 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide?
2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide has a molecular weight of 296.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3,4-difluorophenyl)methyl]-N-ethyl-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 82764206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).