1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide

C15H20F2N2O2 — CID 119299978

IUPAC1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide
SMILESCC(COc1ccc(F)cc1F)NC(=O)C1(N)CCCC1
InChIInChI=1S/C15H20F2N2O2/c1-10(19-14(20)15(18)6-2-3-7-15)9-21-13-5-4-11(16)8-12(13)17/h4-5,8,10H,2-3,6-7,9,18H2,1H3,(H,19,20)
InChIKeyZICGMNUQDMSMKU-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.12
Rot. Bonds5

About 1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide

1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide (PubChem CID 119299978) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is 1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide
PubChem CID119299978
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC Name1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide
SMILESCC(COc1ccc(F)cc1F)NC(=O)C1(N)CCCC1
InChIInChI=1S/C15H20F2N2O2/c1-10(19-14(20)15(18)6-2-3-7-15)9-21-13-5-4-11(16)8-12(13)17/h4-5,8,10H,2-3,6-7,9,18H2,1H3,(H,19,20)
InChIKeyZICGMNUQDMSMKU-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119299977
4-(aminomethyl)-N-[1-(2,4-difluorophenoxy)propan-2-yl]oxane-4-carboxamide;hydrochloride
CID 120926918
1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea
CID 47377617
1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438438
1-cyclohexyl-3-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]urea
CID 94594281
1-amino-N-[1-(3-methylphenoxy)propan-2-yl]cyclopentane-1-carboxamide
CID 119300012
N-[1-(2,4-difluorophenoxy)propan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 119299969
N-[1-(2,4-difluorophenoxy)propan-2-yl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120926922
N-[1-(4-fluorophenoxy)propan-2-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110907559
1-amino-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 81179721
1-[(2R)-1-(2,4-difluorophenoxy)propan-2-yl]-3-(2-methoxyethyl)urea
CID 94197746
2-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]-2-methylpentanamide;hydrochloride
CID 119742779

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide (CID 119299978) is 1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide is CC(COc1ccc(F)cc1F)NC(=O)C1(N)CCCC1.
What is the InChIKey of 1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide?
The InChIKey is ZICGMNUQDMSMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c1-10(19-14(20)15(18)6-2-3-7-15)9-21-13-5-4-11(16)8-12(13)17/h4-5,8,10H,2-3,6-7,9,18H2,1H3,(H,19,20).
What are the key properties of 1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide?
1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide has a molecular weight of 298.33 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(2,4-difluorophenoxy)propan-2-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119299978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).