3-amino-N-[2-(difluoromethoxy)-6-methylphenyl]cyclopentane-1-carboxamide

C14H18F2N2O2 — CID 119764632

IUPAC3-amino-N-[2-(difluoromethoxy)-6-methylphenyl]cyclopentane-1-carboxamide
SMILESCc1cccc(OC(F)F)c1NC(=O)C1CCC(N)C1
InChIInChI=1S/C14H18F2N2O2/c1-8-3-2-4-11(20-14(15)16)12(8)18-13(19)9-5-6-10(17)7-9/h2-4,9-10,14H,5-7,17H2,1H3,(H,18,19)
InChIKeyMKUBSVSMBQJGRK-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.66
Rot. Bonds4

About 3-amino-N-[2-(difluoromethoxy)-6-methylphenyl]cyclopentane-1-carboxamide

3-amino-N-[2-(difluoromethoxy)-6-methylphenyl]cyclopentane-1-carboxamide (PubChem CID 119764632) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-amino-N-[2-(difluoromethoxy)-6-methylphenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(difluoromethoxy)-6-methylphenyl]cyclopentane-1-carboxamide
PubChem CID119764632
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC Name3-amino-N-[2-(difluoromethoxy)-6-methylphenyl]cyclopentane-1-carboxamide
SMILESCc1cccc(OC(F)F)c1NC(=O)C1CCC(N)C1
InChIInChI=1S/C14H18F2N2O2/c1-8-3-2-4-11(20-14(15)16)12(8)18-13(19)9-5-6-10(17)7-9/h2-4,9-10,14H,5-7,17H2,1H3,(H,18,19)
InChIKeyMKUBSVSMBQJGRK-UHFFFAOYSA-N
XLogP2.66
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-ethyl-6-methylphenyl)cyclopentane-1-carboxamide
CID 66032656
3-amino-N-[3-(difluoromethoxy)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119707736
3-amino-N-[3-(difluoromethoxy)-4-methoxyphenyl]cyclopentane-1-carboxamide
CID 66009363
trans-(1S,2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 95297314
(2S)-2-amino-N-[2-(difluoromethoxy)-6-methylphenyl]propanamide;hydrochloride
CID 119312538
3-amino-N-(4-bromo-2-methoxy-6-methylphenyl)cyclopentane-1-carboxamide
CID 66009992
1-N-[2-(difluoromethoxy)-6-methylphenyl]-4-N-(1,3,4-thiadiazol-2-yl)piperidine-1,4-dicarboxamide
CID 56587113
N-[2-(difluoromethoxy)-6-methylphenyl]-3-hydroxypiperidine-1-carboxamide
CID 111111727
3-amino-N-[2-(2-methylphenoxy)butyl]cyclopentane-1-carboxamide;hydrochloride
CID 119819930
7-amino-N-[2-(difluoromethoxy)-6-methylphenyl]heptanamide
CID 119764624
3-amino-N-[2-(2-methylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 119742919
N-[2-(difluoromethoxy)-6-methylphenyl]-4-(oxolan-3-ylmethyl)piperazine-1-carboxamide
CID 102559200

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(difluoromethoxy)-6-methylphenyl]cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(difluoromethoxy)-6-methylphenyl]cyclopentane-1-carboxamide (CID 119764632) is 3-amino-N-[2-(difluoromethoxy)-6-methylphenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(difluoromethoxy)-6-methylphenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(difluoromethoxy)-6-methylphenyl]cyclopentane-1-carboxamide is Cc1cccc(OC(F)F)c1NC(=O)C1CCC(N)C1.
What is the InChIKey of 3-amino-N-[2-(difluoromethoxy)-6-methylphenyl]cyclopentane-1-carboxamide?
The InChIKey is MKUBSVSMBQJGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c1-8-3-2-4-11(20-14(15)16)12(8)18-13(19)9-5-6-10(17)7-9/h2-4,9-10,14H,5-7,17H2,1H3,(H,18,19).
What are the key properties of 3-amino-N-[2-(difluoromethoxy)-6-methylphenyl]cyclopentane-1-carboxamide?
3-amino-N-[2-(difluoromethoxy)-6-methylphenyl]cyclopentane-1-carboxamide has a molecular weight of 284.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(difluoromethoxy)-6-methylphenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119764632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).