4-(difluoromethoxy)-N-[1-(hydroxymethyl)cyclopentyl]benzamide

C14H17F2NO3 — CID 62518563

IUPAC4-(difluoromethoxy)-N-[1-(hydroxymethyl)cyclopentyl]benzamide
SMILESO=C(NC1(CO)CCCC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H17F2NO3/c15-13(16)20-11-5-3-10(4-6-11)12(19)17-14(9-18)7-1-2-8-14/h3-6,13,18H,1-2,7-9H2,(H,17,19)
InChIKeyRRLONTQGFLSODV-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.32
Rot. Bonds5

About 4-(difluoromethoxy)-N-[1-(hydroxymethyl)cyclopentyl]benzamide

4-(difluoromethoxy)-N-[1-(hydroxymethyl)cyclopentyl]benzamide (PubChem CID 62518563) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is 4-(difluoromethoxy)-N-[1-(hydroxymethyl)cyclopentyl]benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-N-[1-(hydroxymethyl)cyclopentyl]benzamide
PubChem CID62518563
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name4-(difluoromethoxy)-N-[1-(hydroxymethyl)cyclopentyl]benzamide
SMILESO=C(NC1(CO)CCCC1)c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H17F2NO3/c15-13(16)20-11-5-3-10(4-6-11)12(19)17-14(9-18)7-1-2-8-14/h3-6,13,18H,1-2,7-9H2,(H,17,19)
InChIKeyRRLONTQGFLSODV-UHFFFAOYSA-N
XLogP2.32
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-bis(difluoromethoxy)-N-[4-(hydroxymethyl)thian-4-yl]benzamide
CID 154864603
N-[[1-(aminomethyl)cyclopentyl]methyl]-4-(difluoromethoxy)benzamide
CID 115365450
4-(chloromethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55082146
N-[1-(hydroxymethyl)cyclopentyl]-4-(propan-2-yloxymethyl)benzamide
CID 62517205
1-N-[1-(hydroxymethyl)cyclopentyl]-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 110008768
[[4-(difluoromethoxy)benzoyl]amino] 1-methylcyclopentane-1-carboxylate
CID 90309618
N-[1-(aminomethyl)cyclopentyl]-4-methoxybenzamide;hydrochloride
CID 119566284
4-butoxy-N-[1-(hydroxymethyl)cyclopropyl]benzamide
CID 115764949
2-[1-[(4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64670427
N-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-3-carboxamide
CID 110008429
3-amino-4-fluoro-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62524113
methyl 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]cyclopentane-1-carboxylate
CID 58304059

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The IUPAC name of 4-(difluoromethoxy)-N-[1-(hydroxymethyl)cyclopentyl]benzamide (CID 62518563) is 4-(difluoromethoxy)-N-[1-(hydroxymethyl)cyclopentyl]benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The canonical SMILES for 4-(difluoromethoxy)-N-[1-(hydroxymethyl)cyclopentyl]benzamide is O=C(NC1(CO)CCCC1)c1ccc(OC(F)F)cc1.
What is the InChIKey of 4-(difluoromethoxy)-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
The InChIKey is RRLONTQGFLSODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c15-13(16)20-11-5-3-10(4-6-11)12(19)17-14(9-18)7-1-2-8-14/h3-6,13,18H,1-2,7-9H2,(H,17,19).
What are the key properties of 4-(difluoromethoxy)-N-[1-(hydroxymethyl)cyclopentyl]benzamide?
4-(difluoromethoxy)-N-[1-(hydroxymethyl)cyclopentyl]benzamide has a molecular weight of 285.29 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-N-[1-(hydroxymethyl)cyclopentyl]benzamide is sourced from PubChem (CID 62518563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).