(4-benzamidophenyl) cyclopentanecarboxylate

C19H19NO3 — CID 26191011

IUPAC(4-benzamidophenyl) cyclopentanecarboxylate
SMILESO=C(Nc1ccc(OC(=O)C2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C19H19NO3/c21-18(14-6-2-1-3-7-14)20-16-10-12-17(13-11-16)23-19(22)15-8-4-5-9-15/h1-3,6-7,10-13,15H,4-5,8-9H2,(H,20,21)
InChIKeyBBXLMPGHOZVDLF-UHFFFAOYSA-N
MW309.37 g/mol
LogP4.03
Rot. Bonds4

About (4-benzamidophenyl) cyclopentanecarboxylate

(4-benzamidophenyl) cyclopentanecarboxylate (PubChem CID 26191011) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is (4-benzamidophenyl) cyclopentanecarboxylate.

Molecular Properties

Compound Name(4-benzamidophenyl) cyclopentanecarboxylate
PubChem CID26191011
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name(4-benzamidophenyl) cyclopentanecarboxylate
SMILESO=C(Nc1ccc(OC(=O)C2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C19H19NO3/c21-18(14-6-2-1-3-7-14)20-16-10-12-17(13-11-16)23-19(22)15-8-4-5-9-15/h1-3,6-7,10-13,15H,4-5,8-9H2,(H,20,21)
InChIKeyBBXLMPGHOZVDLF-UHFFFAOYSA-N
XLogP4.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(4-benzamidophenyl) benzoate
CID 569583
(4-phenylphenyl) cyclopentanecarboxylate
CID 1234522
(4-benzamidophenyl) acetate
CID 34734144
[4-(phenylmethoxycarbonylamino)phenyl] cyclopropanecarboxylate
CID 67154778
(4-benzamidophenyl) 2,3-dihydro-1-benzothiophene-2-carboxylate
CID 55487595
[4-(cyclopropanecarbonylamino)phenyl] cyclopropanecarboxylate
CID 11601220
[4-[(2-methoxybenzoyl)amino]phenyl] cyclopropanecarboxylate
CID 26699631
4-benzamido-N-cyclopentylbenzamide
CID 1262350
N-(4-cyclohexylphenyl)benzamide
CID 10333838
[2-(4-benzamidophenyl)-2-oxoethyl] cyclopropanecarboxylate
CID 7489555
4-(cyclopentanecarbonylamino)-N-(4-methoxyphenyl)benzamide
CID 2677112
[4-[4-(cyclohexanecarbonyloxy)phenyl]phenyl] cyclohexanecarboxylate
CID 122549311

Frequently Asked Questions

What is the IUPAC name of (4-benzamidophenyl) cyclopentanecarboxylate?
The IUPAC name of (4-benzamidophenyl) cyclopentanecarboxylate (CID 26191011) is (4-benzamidophenyl) cyclopentanecarboxylate.
What is the SMILES notation for (4-benzamidophenyl) cyclopentanecarboxylate?
The canonical SMILES for (4-benzamidophenyl) cyclopentanecarboxylate is O=C(Nc1ccc(OC(=O)C2CCCC2)cc1)c1ccccc1.
What is the InChIKey of (4-benzamidophenyl) cyclopentanecarboxylate?
The InChIKey is BBXLMPGHOZVDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-18(14-6-2-1-3-7-14)20-16-10-12-17(13-11-16)23-19(22)15-8-4-5-9-15/h1-3,6-7,10-13,15H,4-5,8-9H2,(H,20,21).
What are the key properties of (4-benzamidophenyl) cyclopentanecarboxylate?
(4-benzamidophenyl) cyclopentanecarboxylate has a molecular weight of 309.37 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzamidophenyl) cyclopentanecarboxylate is sourced from PubChem (CID 26191011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).