N-[4-(4-chlorophenyl)oxan-4-yl]-5-methylfuran-2-carboxamide

C17H18ClNO3 — CID 138992450

IUPACN-[4-(4-chlorophenyl)oxan-4-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)o1
InChIInChI=1S/C17H18ClNO3/c1-12-2-7-15(22-12)16(20)19-17(8-10-21-11-9-17)13-3-5-14(18)6-4-13/h2-7H,8-11H2,1H3,(H,19,20)
InChIKeyNYEVMIUNCSXBQC-UHFFFAOYSA-N
MW319.79 g/mol
LogP3.68
Rot. Bonds3

About N-[4-(4-chlorophenyl)oxan-4-yl]-5-methylfuran-2-carboxamide

N-[4-(4-chlorophenyl)oxan-4-yl]-5-methylfuran-2-carboxamide (PubChem CID 138992450) has the molecular formula C17H18ClNO3 and a molecular weight of 319.79 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)oxan-4-yl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)oxan-4-yl]-5-methylfuran-2-carboxamide
PubChem CID138992450
Molecular FormulaC17H18ClNO3
Molecular Weight319.79 g/mol
Exact Mass319.10
IUPAC NameN-[4-(4-chlorophenyl)oxan-4-yl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)o1
InChIInChI=1S/C17H18ClNO3/c1-12-2-7-15(22-12)16(20)19-17(8-10-21-11-9-17)13-3-5-14(18)6-4-13/h2-7H,8-11H2,1H3,(H,19,20)
InChIKeyNYEVMIUNCSXBQC-UHFFFAOYSA-N
XLogP3.68
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-chlorophenyl)oxan-4-yl]-4-cyano-2-methylbenzamide
CID 136516893
N-[4-(4-chlorophenyl)oxan-4-yl]-6-ethyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 100703954
N-[4-(4-chlorophenyl)oxan-4-yl]-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 167848195
N-[1-(4-chlorophenyl)cyclopropyl]-2-methylbenzamide
CID 113091060
N-[1-(difluoromethyl)cyclopropyl]-5-methylfuran-2-carboxamide
CID 126787223
N-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide
CID 110441479
N-[4-(4-chlorophenyl)oxan-4-yl]-2-pyrazol-1-ylpropanamide
CID 146085233
N-[1-(hydroxymethyl)cyclobutyl]-5-methylfuran-2-carboxamide
CID 115877897
N-[1-(4-chlorophenyl)cyclopropyl]-2-morpholin-4-ylpropanamide
CID 110446378
1-[4-(4-chlorophenyl)oxan-4-yl]-3-(1,3-thiazol-2-yl)urea
CID 56822946
5-methyl-N-morpholin-4-ylfuran-2-carboxamide
CID 3507503
N-[4-(4-chlorophenyl)oxan-4-yl]-3-[(2R)-oxolan-2-yl]propanamide
CID 95286395

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)oxan-4-yl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[4-(4-chlorophenyl)oxan-4-yl]-5-methylfuran-2-carboxamide (CID 138992450) is N-[4-(4-chlorophenyl)oxan-4-yl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)oxan-4-yl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenyl)oxan-4-yl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NC2(c3ccc(Cl)cc3)CCOCC2)o1.
What is the InChIKey of N-[4-(4-chlorophenyl)oxan-4-yl]-5-methylfuran-2-carboxamide?
The InChIKey is NYEVMIUNCSXBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3/c1-12-2-7-15(22-12)16(20)19-17(8-10-21-11-9-17)13-3-5-14(18)6-4-13/h2-7H,8-11H2,1H3,(H,19,20).
What are the key properties of N-[4-(4-chlorophenyl)oxan-4-yl]-5-methylfuran-2-carboxamide?
N-[4-(4-chlorophenyl)oxan-4-yl]-5-methylfuran-2-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)oxan-4-yl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 138992450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).