[[4-(difluoromethoxy)benzoyl]amino] 1-methylcyclopentane-1-carboxylate

C15H17F2NO4 — CID 90309618

IUPAC[[4-(difluoromethoxy)benzoyl]amino] 1-methylcyclopentane-1-carboxylate
SMILESCC1(C(=O)ONC(=O)c2ccc(OC(F)F)cc2)CCCC1
InChIInChI=1S/C15H17F2NO4/c1-15(8-2-3-9-15)13(20)22-18-12(19)10-4-6-11(7-5-10)21-14(16)17/h4-7,14H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyBEMPLQUNGBVRBG-UHFFFAOYSA-N
MW313.30 g/mol
LogP3.06
Rot. Bonds4

About [[4-(difluoromethoxy)benzoyl]amino] 1-methylcyclopentane-1-carboxylate

[[4-(difluoromethoxy)benzoyl]amino] 1-methylcyclopentane-1-carboxylate (PubChem CID 90309618) has the molecular formula C15H17F2NO4 and a molecular weight of 313.30 g/mol. Its IUPAC name is [[4-(difluoromethoxy)benzoyl]amino] 1-methylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name[[4-(difluoromethoxy)benzoyl]amino] 1-methylcyclopentane-1-carboxylate
PubChem CID90309618
Molecular FormulaC15H17F2NO4
Molecular Weight313.30 g/mol
Exact Mass313.11
IUPAC Name[[4-(difluoromethoxy)benzoyl]amino] 1-methylcyclopentane-1-carboxylate
SMILESCC1(C(=O)ONC(=O)c2ccc(OC(F)F)cc2)CCCC1
InChIInChI=1S/C15H17F2NO4/c1-15(8-2-3-9-15)13(20)22-18-12(19)10-4-6-11(7-5-10)21-14(16)17/h4-7,14H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyBEMPLQUNGBVRBG-UHFFFAOYSA-N
XLogP3.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethoxy)-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62518563
N-[[1-(aminomethyl)cyclopentyl]methyl]-4-(difluoromethoxy)benzamide
CID 115365450
methyl 1-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]cyclopentane-1-carboxylate
CID 58304059
4-(difluoromethoxy)-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78956822
N-(4-acetamidophenyl)-4-(difluoromethoxy)benzamide
CID 2168312
4-[[4-(difluoromethoxy)benzoyl]amino]benzamide
CID 842852
4-(carbamoylamino)-N-[4-(difluoromethoxy)phenyl]benzamide
CID 26027108
N-[1-(1-adamantyl)ethyl]-4-(difluoromethoxy)benzamide
CID 5162241
N-[4-(difluoromethoxy)phenyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430225
1-[4-(difluoromethoxy)benzoyl]-3-methyl-N-propylpiperidine-3-carboxamide
CID 46943736
N-(2-amino-1-cyclopentylethyl)-4-(difluoromethoxy)benzamide
CID 106737206
2-(1-aminocyclopentyl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 64683969

Frequently Asked Questions

What is the IUPAC name of [[4-(difluoromethoxy)benzoyl]amino] 1-methylcyclopentane-1-carboxylate?
The IUPAC name of [[4-(difluoromethoxy)benzoyl]amino] 1-methylcyclopentane-1-carboxylate (CID 90309618) is [[4-(difluoromethoxy)benzoyl]amino] 1-methylcyclopentane-1-carboxylate.
What is the SMILES notation for [[4-(difluoromethoxy)benzoyl]amino] 1-methylcyclopentane-1-carboxylate?
The canonical SMILES for [[4-(difluoromethoxy)benzoyl]amino] 1-methylcyclopentane-1-carboxylate is CC1(C(=O)ONC(=O)c2ccc(OC(F)F)cc2)CCCC1.
What is the InChIKey of [[4-(difluoromethoxy)benzoyl]amino] 1-methylcyclopentane-1-carboxylate?
The InChIKey is BEMPLQUNGBVRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO4/c1-15(8-2-3-9-15)13(20)22-18-12(19)10-4-6-11(7-5-10)21-14(16)17/h4-7,14H,2-3,8-9H2,1H3,(H,18,19).
What are the key properties of [[4-(difluoromethoxy)benzoyl]amino] 1-methylcyclopentane-1-carboxylate?
[[4-(difluoromethoxy)benzoyl]amino] 1-methylcyclopentane-1-carboxylate has a molecular weight of 313.30 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(difluoromethoxy)benzoyl]amino] 1-methylcyclopentane-1-carboxylate is sourced from PubChem (CID 90309618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).