4-(4-chloro-2-methylphenoxy)-N-[(2-fluorophenyl)methyl]butanamide

C18H19ClFNO2 — CID 4795998

IUPAC4-(4-chloro-2-methylphenoxy)-N-[(2-fluorophenyl)methyl]butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)NCc1ccccc1F
InChIInChI=1S/C18H19ClFNO2/c1-13-11-15(19)8-9-17(13)23-10-4-7-18(22)21-12-14-5-2-3-6-16(14)20/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,21,22)
InChIKeyKBNARCPOBZOLTJ-UHFFFAOYSA-N
MW335.81 g/mol
LogP4.26
Rot. Bonds7

About 4-(4-chloro-2-methylphenoxy)-N-[(2-fluorophenyl)methyl]butanamide

4-(4-chloro-2-methylphenoxy)-N-[(2-fluorophenyl)methyl]butanamide (PubChem CID 4795998) has the molecular formula C18H19ClFNO2 and a molecular weight of 335.81 g/mol. Its IUPAC name is 4-(4-chloro-2-methylphenoxy)-N-[(2-fluorophenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(4-chloro-2-methylphenoxy)-N-[(2-fluorophenyl)methyl]butanamide
PubChem CID4795998
Molecular FormulaC18H19ClFNO2
Molecular Weight335.81 g/mol
Exact Mass335.11
IUPAC Name4-(4-chloro-2-methylphenoxy)-N-[(2-fluorophenyl)methyl]butanamide
SMILESCc1cc(Cl)ccc1OCCCC(=O)NCc1ccccc1F
InChIInChI=1S/C18H19ClFNO2/c1-13-11-15(19)8-9-17(13)23-10-4-7-18(22)21-12-14-5-2-3-6-16(14)20/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,21,22)
InChIKeyKBNARCPOBZOLTJ-UHFFFAOYSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.81
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide
CID 2094963
3-(4-chloro-2-methylanilino)-N-[(2-fluorophenyl)methyl]propanamide
CID 109020765
ethyl 2-[4-(4-chloro-2-methylphenoxy)butanoylamino]acetate
CID 4077817
4-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-chloro-2-methylphenoxy)butanoylamino]propyl]butanamide
CID 4125851
4-(4-chloro-2-methylphenoxy)-N-(5-fluoro-2-methylphenyl)butanamide
CID 18226308
4-(4-chloro-2-methylphenoxy)butanoyl chloride
CID 2757686
4-(4-chloro-2-methylphenoxy)-N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]butanamide
CID 55797087
7-(4-chloro-2-methylphenoxy)-N-hydroxyheptanamide
CID 39387148
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 8579171
2-(2,5-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]acetamide
CID 8578532
N-[(2-fluorophenyl)methyl]hexanamide
CID 17068300
2,5-dichloro-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide
CID 108541813

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-[(2-fluorophenyl)methyl]butanamide?
The IUPAC name of 4-(4-chloro-2-methylphenoxy)-N-[(2-fluorophenyl)methyl]butanamide (CID 4795998) is 4-(4-chloro-2-methylphenoxy)-N-[(2-fluorophenyl)methyl]butanamide.
What is the SMILES notation for 4-(4-chloro-2-methylphenoxy)-N-[(2-fluorophenyl)methyl]butanamide?
The canonical SMILES for 4-(4-chloro-2-methylphenoxy)-N-[(2-fluorophenyl)methyl]butanamide is Cc1cc(Cl)ccc1OCCCC(=O)NCc1ccccc1F.
What is the InChIKey of 4-(4-chloro-2-methylphenoxy)-N-[(2-fluorophenyl)methyl]butanamide?
The InChIKey is KBNARCPOBZOLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFNO2/c1-13-11-15(19)8-9-17(13)23-10-4-7-18(22)21-12-14-5-2-3-6-16(14)20/h2-3,5-6,8-9,11H,4,7,10,12H2,1H3,(H,21,22).
What are the key properties of 4-(4-chloro-2-methylphenoxy)-N-[(2-fluorophenyl)methyl]butanamide?
4-(4-chloro-2-methylphenoxy)-N-[(2-fluorophenyl)methyl]butanamide has a molecular weight of 335.81 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methylphenoxy)-N-[(2-fluorophenyl)methyl]butanamide is sourced from PubChem (CID 4795998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).