N-[2-(4-chlorophenoxy)ethyl]-1-phenylcyclobutane-1-carboxamide

C19H20ClNO2 — CID 32621862

IUPACN-[2-(4-chlorophenoxy)ethyl]-1-phenylcyclobutane-1-carboxamide
SMILESO=C(NCCOc1ccc(Cl)cc1)C1(c2ccccc2)CCC1
InChIInChI=1S/C19H20ClNO2/c20-16-7-9-17(10-8-16)23-14-13-21-18(22)19(11-4-12-19)15-5-2-1-3-6-15/h1-3,5-10H,4,11-14H2,(H,21,22)
InChIKeyASQMRQANKPZQNR-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.96
Rot. Bonds6

About N-[2-(4-chlorophenoxy)ethyl]-1-phenylcyclobutane-1-carboxamide

N-[2-(4-chlorophenoxy)ethyl]-1-phenylcyclobutane-1-carboxamide (PubChem CID 32621862) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is N-[2-(4-chlorophenoxy)ethyl]-1-phenylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenoxy)ethyl]-1-phenylcyclobutane-1-carboxamide
PubChem CID32621862
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC NameN-[2-(4-chlorophenoxy)ethyl]-1-phenylcyclobutane-1-carboxamide
SMILESO=C(NCCOc1ccc(Cl)cc1)C1(c2ccccc2)CCC1
InChIInChI=1S/C19H20ClNO2/c20-16-7-9-17(10-8-16)23-14-13-21-18(22)19(11-4-12-19)15-5-2-1-3-6-15/h1-3,5-10H,4,11-14H2,(H,21,22)
InChIKeyASQMRQANKPZQNR-UHFFFAOYSA-N
XLogP3.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenoxyethyl)-1-phenylcyclopentane-1-carboxamide
CID 100543641
N-(3-phenoxypropyl)-1-phenylcyclopropane-1-carboxamide
CID 33175947
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
CID 119271539
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119271538
1-(4-fluorophenyl)-N-(2-phenoxyethyl)cyclopropane-1-carboxamide
CID 32935327
N-[(4-chlorophenyl)methyl]-1-phenylcyclopentane-1-carboxamide
CID 35571496
N-(2-aminoethyl)-1-phenylcyclobutane-1-carboxamide;hydrochloride
CID 119383117
N-[2-(2-methylphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 99848155
N-[2-(2-methoxyphenoxy)ethyl]-1-phenylcyclopentane-1-carboxamide
CID 100551991
1-(4-chlorophenyl)-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]cyclopentane-1-carboxamide
CID 78902248
1-(2-chlorophenyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
CID 110438432
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-phenoxyethyl)cyclopropane-1-carboxamide
CID 90504543

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-1-phenylcyclobutane-1-carboxamide?
The IUPAC name of N-[2-(4-chlorophenoxy)ethyl]-1-phenylcyclobutane-1-carboxamide (CID 32621862) is N-[2-(4-chlorophenoxy)ethyl]-1-phenylcyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenoxy)ethyl]-1-phenylcyclobutane-1-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenoxy)ethyl]-1-phenylcyclobutane-1-carboxamide is O=C(NCCOc1ccc(Cl)cc1)C1(c2ccccc2)CCC1.
What is the InChIKey of N-[2-(4-chlorophenoxy)ethyl]-1-phenylcyclobutane-1-carboxamide?
The InChIKey is ASQMRQANKPZQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO2/c20-16-7-9-17(10-8-16)23-14-13-21-18(22)19(11-4-12-19)15-5-2-1-3-6-15/h1-3,5-10H,4,11-14H2,(H,21,22).
What are the key properties of N-[2-(4-chlorophenoxy)ethyl]-1-phenylcyclobutane-1-carboxamide?
N-[2-(4-chlorophenoxy)ethyl]-1-phenylcyclobutane-1-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 3.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenoxy)ethyl]-1-phenylcyclobutane-1-carboxamide is sourced from PubChem (CID 32621862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).