N-[[1-(4-chlorophenyl)cyclopropyl]methyl]oxolane-2-carboxamide

C15H18ClNO2 — CID 113090708

IUPACN-[[1-(4-chlorophenyl)cyclopropyl]methyl]oxolane-2-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CC1)C1CCCO1
InChIInChI=1S/C15H18ClNO2/c16-12-5-3-11(4-6-12)15(7-8-15)10-17-14(18)13-2-1-9-19-13/h3-6,13H,1-2,7-10H2,(H,17,18)
InChIKeyRETPCZFLCNXAHL-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.67
Rot. Bonds4

About N-[[1-(4-chlorophenyl)cyclopropyl]methyl]oxolane-2-carboxamide

N-[[1-(4-chlorophenyl)cyclopropyl]methyl]oxolane-2-carboxamide (PubChem CID 113090708) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]oxolane-2-carboxamide
PubChem CID113090708
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC NameN-[[1-(4-chlorophenyl)cyclopropyl]methyl]oxolane-2-carboxamide
SMILESO=C(NCC1(c2ccc(Cl)cc2)CC1)C1CCCO1
InChIInChI=1S/C15H18ClNO2/c16-12-5-3-11(4-6-12)15(7-8-15)10-17-14(18)13-2-1-9-19-13/h3-6,13H,1-2,7-10H2,(H,17,18)
InChIKeyRETPCZFLCNXAHL-UHFFFAOYSA-N
XLogP2.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-phenylcyclopropyl)methyl]oxolane-2-carboxamide
CID 42940584
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119769970
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-2-hydroxycyclopentane-1-carboxamide
CID 110014293
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-cyclopropylurea
CID 113090728
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]morpholine-4-carboxamide
CID 113214436
(2R)-N-[[4-[(4-chlorophenyl)methylamino]phenyl]methyl]oxolane-2-carboxamide
CID 170159902
(2R,3S)-N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120930587
N-[[1-(4-chlorophenyl)cyclobutyl]methyl]piperidine-2-carboxamide
CID 119315649
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]pyrrolidine-3-carboxamide
CID 119749968
N'-[2-(4-chlorophenyl)acetyl]oxolane-2-carbohydrazide
CID 5343509
(2S,4S)-N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120630711
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119731232

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]oxolane-2-carboxamide?
The IUPAC name of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]oxolane-2-carboxamide (CID 113090708) is N-[[1-(4-chlorophenyl)cyclopropyl]methyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]oxolane-2-carboxamide?
The canonical SMILES for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]oxolane-2-carboxamide is O=C(NCC1(c2ccc(Cl)cc2)CC1)C1CCCO1.
What is the InChIKey of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]oxolane-2-carboxamide?
The InChIKey is RETPCZFLCNXAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c16-12-5-3-11(4-6-12)15(7-8-15)10-17-14(18)13-2-1-9-19-13/h3-6,13H,1-2,7-10H2,(H,17,18).
What are the key properties of N-[[1-(4-chlorophenyl)cyclopropyl]methyl]oxolane-2-carboxamide?
N-[[1-(4-chlorophenyl)cyclopropyl]methyl]oxolane-2-carboxamide has a molecular weight of 279.77 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-chlorophenyl)cyclopropyl]methyl]oxolane-2-carboxamide is sourced from PubChem (CID 113090708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).