4-[(2-chloro-4-fluorophenoxy)methyl]benzamide

C14H11ClFNO2 — CID 27313029

IUPAC4-[(2-chloro-4-fluorophenoxy)methyl]benzamide
SMILESNC(=O)c1ccc(COc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C14H11ClFNO2/c15-12-7-11(16)5-6-13(12)19-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8H2,(H2,17,18)
InChIKeyVBBQGXOAQKWSAK-UHFFFAOYSA-N
MW279.70 g/mol
LogP3.16
Rot. Bonds4

About 4-[(2-chloro-4-fluorophenoxy)methyl]benzamide

4-[(2-chloro-4-fluorophenoxy)methyl]benzamide (PubChem CID 27313029) has the molecular formula C14H11ClFNO2 and a molecular weight of 279.70 g/mol. Its IUPAC name is 4-[(2-chloro-4-fluorophenoxy)methyl]benzamide.

Molecular Properties

Compound Name4-[(2-chloro-4-fluorophenoxy)methyl]benzamide
PubChem CID27313029
Molecular FormulaC14H11ClFNO2
Molecular Weight279.70 g/mol
Exact Mass279.05
IUPAC Name4-[(2-chloro-4-fluorophenoxy)methyl]benzamide
SMILESNC(=O)c1ccc(COc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C14H11ClFNO2/c15-12-7-11(16)5-6-13(12)19-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8H2,(H2,17,18)
InChIKeyVBBQGXOAQKWSAK-UHFFFAOYSA-N
XLogP3.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.70
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[(4-fluorophenyl)methoxy]benzamide
CID 91681954
4-[(2-chloro-4-fluorophenoxy)methyl]benzohydrazide
CID 63576415
4-[(2-bromo-4-fluorophenoxy)methyl]benzamide
CID 24526653
4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid
CID 60711874
2-[4-[(2-chloro-4-fluorophenoxy)methyl]phenyl]acetohydrazide
CID 105351476
3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzamide
CID 91683401
2-chloro-4-fluoro-1-phenylmethoxybenzene
CID 58086731
4-[(2-chloro-4-fluorophenoxy)methyl]-2-fluorobenzoic acid
CID 106698363
(E)-3-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]prop-2-enamide
CID 91684714
3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoic acid
CID 60651644
CID 88897804
CID 88897804
bromozinc(1+);2-chloro-4-fluoro-1-(phenylmethoxy)benzene
CID 146002169

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-4-fluorophenoxy)methyl]benzamide?
The IUPAC name of 4-[(2-chloro-4-fluorophenoxy)methyl]benzamide (CID 27313029) is 4-[(2-chloro-4-fluorophenoxy)methyl]benzamide.
What is the SMILES notation for 4-[(2-chloro-4-fluorophenoxy)methyl]benzamide?
The canonical SMILES for 4-[(2-chloro-4-fluorophenoxy)methyl]benzamide is NC(=O)c1ccc(COc2ccc(F)cc2Cl)cc1.
What is the InChIKey of 4-[(2-chloro-4-fluorophenoxy)methyl]benzamide?
The InChIKey is VBBQGXOAQKWSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO2/c15-12-7-11(16)5-6-13(12)19-8-9-1-3-10(4-2-9)14(17)18/h1-7H,8H2,(H2,17,18).
What are the key properties of 4-[(2-chloro-4-fluorophenoxy)methyl]benzamide?
4-[(2-chloro-4-fluorophenoxy)methyl]benzamide has a molecular weight of 279.70 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-4-fluorophenoxy)methyl]benzamide is sourced from PubChem (CID 27313029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).