2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide

C16H18ClNO3 — CID 19191627

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
SMILESCc1cc(OC(C)C(=O)NCc2ccco2)cc(C)c1Cl
InChIInChI=1S/C16H18ClNO3/c1-10-7-14(8-11(2)15(10)17)21-12(3)16(19)18-9-13-5-4-6-20-13/h4-8,12H,9H2,1-3H3,(H,18,19)
InChIKeyDYPVKWVHJUMJLW-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.63
Rot. Bonds5

About 2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide

2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide (PubChem CID 19191627) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
PubChem CID19191627
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
SMILESCc1cc(OC(C)C(=O)NCc2ccco2)cc(C)c1Cl
InChIInChI=1S/C16H18ClNO3/c1-10-7-14(8-11(2)15(10)17)21-12(3)16(19)18-9-13-5-4-6-20-13/h4-8,12H,9H2,1-3H3,(H,18,19)
InChIKeyDYPVKWVHJUMJLW-UHFFFAOYSA-N
XLogP3.63
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)propanamide
CID 19203901
(2S)-2-(4-chloro-3,5-dimethylphenoxy)-N,N-bis(furan-2-ylmethyl)propanamide
CID 40639487
(2S)-2-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 26909573
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)phenoxy]propanamide
CID 43503670
(2R)-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 973402
2-(2-amino-5-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 62304320
(2S)-2-[4-(4-fluorobenzoyl)phenoxy]-N-(furan-2-ylmethyl)propanamide
CID 7382374
2-(4-bromo-2-chlorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 2970667
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2,6-dimethylphenoxy)acetate
CID 8631415
2-(2-bromophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 17173386
2-[(6-formyl-3-pyridinyl)oxy]-N-(furan-2-ylmethyl)propanamide
CID 79794769
2-[5-(aminomethyl)-2-methylphenoxy]-N-(furan-2-ylmethyl)propanamide
CID 107655743

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide (CID 19191627) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide is Cc1cc(OC(C)C(=O)NCc2ccco2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide?
The InChIKey is DYPVKWVHJUMJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-10-7-14(8-11(2)15(10)17)21-12(3)16(19)18-9-13-5-4-6-20-13/h4-8,12H,9H2,1-3H3,(H,18,19).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide has a molecular weight of 307.78 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 19191627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).