5-[(3-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide

C17H18ClNO4 — CID 5039250

IUPAC5-[(3-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(COc2cccc(Cl)c2)o1
InChIInChI=1S/C17H18ClNO4/c18-12-3-1-4-13(9-12)22-11-15-6-7-16(23-15)17(20)19-10-14-5-2-8-21-14/h1,3-4,6-7,9,14H,2,5,8,10-11H2,(H,19,20)
InChIKeyFKAMUIPCLJFGID-UHFFFAOYSA-N
MW335.79 g/mol
LogP3.42
Rot. Bonds6

About 5-[(3-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide

5-[(3-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide (PubChem CID 5039250) has the molecular formula C17H18ClNO4 and a molecular weight of 335.79 g/mol. Its IUPAC name is 5-[(3-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
PubChem CID5039250
Molecular FormulaC17H18ClNO4
Molecular Weight335.79 g/mol
Exact Mass335.09
IUPAC Name5-[(3-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide
SMILESO=C(NCC1CCCO1)c1ccc(COc2cccc(Cl)c2)o1
InChIInChI=1S/C17H18ClNO4/c18-12-3-1-4-13(9-12)22-11-15-6-7-16(23-15)17(20)19-10-14-5-2-8-21-14/h1,3-4,6-7,9,14H,2,5,8,10-11H2,(H,19,20)
InChIKeyFKAMUIPCLJFGID-UHFFFAOYSA-N
XLogP3.42
TPSA60.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(oxolan-2-ylmethyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 24980461
5-[(4-ethoxyphenoxy)methyl]-N-[[(2R)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 756937
5-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)furan-2-carboxamide
CID 71691397
1-[[5-[(4-chlorophenoxy)methyl]furan-2-carbonyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea
CID 51391408
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-(3-chlorophenoxy)acetate
CID 7803969
5-[(3-chlorophenoxy)methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 19446135
2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 2932985
4-[(4-chlorophenoxy)methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 895178
N-(oxolan-2-ylmethyl)-4-(phenoxymethyl)benzamide
CID 24684666
1-[[5-[(4-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-3-(oxolan-2-ylmethyl)thiourea
CID 3461291
5-[[(1R)-2-acetyl-1-phenyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-N-[[(2S)-oxolan-2-yl]methyl]furan-2-carboxamide
CID 93336521
N'-[(Z)-[3-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-N-[[(2S)-oxolan-2-yl]methyl]oxamide
CID 8930313

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-[(3-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide (CID 5039250) is 5-[(3-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(3-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-[(3-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide is O=C(NCC1CCCO1)c1ccc(COc2cccc(Cl)c2)o1.
What is the InChIKey of 5-[(3-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
The InChIKey is FKAMUIPCLJFGID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO4/c18-12-3-1-4-13(9-12)22-11-15-6-7-16(23-15)17(20)19-10-14-5-2-8-21-14/h1,3-4,6-7,9,14H,2,5,8,10-11H2,(H,19,20).
What are the key properties of 5-[(3-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide?
5-[(3-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide has a molecular weight of 335.79 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenoxy)methyl]-N-(oxolan-2-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 5039250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).