4-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)butanamide

C16H18ClNO3 — CID 2477739

IUPAC4-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)butanamide
SMILESCc1cc(OCCCC(=O)NCc2ccco2)ccc1Cl
InChIInChI=1S/C16H18ClNO3/c1-12-10-13(6-7-15(12)17)20-9-3-5-16(19)18-11-14-4-2-8-21-14/h2,4,6-8,10H,3,5,9,11H2,1H3,(H,18,19)
InChIKeyUJQVEQIGBHDEPX-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.72
Rot. Bonds7

About 4-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)butanamide

4-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)butanamide (PubChem CID 2477739) has the molecular formula C16H18ClNO3 and a molecular weight of 307.78 g/mol. Its IUPAC name is 4-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)butanamide
PubChem CID2477739
Molecular FormulaC16H18ClNO3
Molecular Weight307.78 g/mol
Exact Mass307.10
IUPAC Name4-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)butanamide
SMILESCc1cc(OCCCC(=O)NCc2ccco2)ccc1Cl
InChIInChI=1S/C16H18ClNO3/c1-12-10-13(6-7-15(12)17)20-9-3-5-16(19)18-11-14-4-2-8-21-14/h2,4,6-8,10H,3,5,9,11H2,1H3,(H,18,19)
InChIKeyUJQVEQIGBHDEPX-UHFFFAOYSA-N
XLogP3.72
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)acetamide
CID 692240
4-(4-chloro-3-methylphenoxy)-N-[(4-methylphenyl)methyl]butanamide
CID 2671659
4-(4-chloro-3-methylphenoxy)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 86825763
3-(3,5-dimethylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 17034727
2-[2-[(4-chloro-3-methylphenoxy)methyl]benzimidazol-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 17032106
N-(1,3-benzothiazol-2-ylmethyl)-4-(4-chloro-3-methylphenoxy)butanamide
CID 43003033
4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120650627
(2S)-1-(4-chloro-3-methylphenoxy)-3-(furan-2-ylmethylamino)propan-2-ol
CID 41300610
N-[(2S)-1-aminopropan-2-yl]-4-(4-chloro-3-methylphenoxy)butanamide
CID 120507285
4-(4-chloro-3-methylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 19191215
N'-[2-(4-chloro-3-methylphenoxy)acetyl]-4-(4-methylphenoxy)butanehydrazide
CID 18268166
4-(4-chloro-3-methylphenoxy)-N-(2-ethylphenyl)butanamide
CID 4797069

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of 4-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)butanamide (CID 2477739) is 4-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for 4-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)butanamide is Cc1cc(OCCCC(=O)NCc2ccco2)ccc1Cl.
What is the InChIKey of 4-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)butanamide?
The InChIKey is UJQVEQIGBHDEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO3/c1-12-10-13(6-7-15(12)17)20-9-3-5-16(19)18-11-14-4-2-8-21-14/h2,4,6-8,10H,3,5,9,11H2,1H3,(H,18,19).
What are the key properties of 4-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)butanamide?
4-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)butanamide has a molecular weight of 307.78 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3-methylphenoxy)-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 2477739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).