2,4-dichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide

C16H14Cl2FNO2 — CID 16574257

IUPAC2,4-dichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C16H14Cl2FNO2/c1-9(10-3-6-15(22-2)14(19)7-10)20-16(21)12-5-4-11(17)8-13(12)18/h3-9H,1-2H3,(H,20,21)
InChIKeyVTHFTDRNAWEJBU-UHFFFAOYSA-N
MW342.20 g/mol
LogP4.63
Rot. Bonds4

About 2,4-dichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide

2,4-dichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide (PubChem CID 16574257) has the molecular formula C16H14Cl2FNO2 and a molecular weight of 342.20 g/mol. Its IUPAC name is 2,4-dichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
PubChem CID16574257
Molecular FormulaC16H14Cl2FNO2
Molecular Weight342.20 g/mol
Exact Mass341.04
IUPAC Name2,4-dichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(C(C)NC(=O)c2ccc(Cl)cc2Cl)cc1F
InChIInChI=1S/C16H14Cl2FNO2/c1-9(10-3-6-15(22-2)14(19)7-10)20-16(21)12-5-4-11(17)8-13(12)18/h3-9H,1-2H3,(H,20,21)
InChIKeyVTHFTDRNAWEJBU-UHFFFAOYSA-N
XLogP4.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dichloro-5-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 18275060
4-chloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 9051353
5-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 94049074
4-chloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 46828541
2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43915384
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-methyl-5-methylsulfanylbenzamide
CID 86919985
2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-nitrobenzamide
CID 87021268
2,4-dichloro-N-[2-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethylamino]-2-oxoethyl]benzamide
CID 46415115
2-fluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 107358477
N-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-1,2-dimethylpyrrole-3-carboxamide
CID 124628027
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 17397646
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 46655748

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide (CID 16574257) is 2,4-dichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide is COc1ccc(C(C)NC(=O)c2ccc(Cl)cc2Cl)cc1F.
What is the InChIKey of 2,4-dichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
The InChIKey is VTHFTDRNAWEJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO2/c1-9(10-3-6-15(22-2)14(19)7-10)20-16(21)12-5-4-11(17)8-13(12)18/h3-9H,1-2H3,(H,20,21).
What are the key properties of 2,4-dichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide?
2,4-dichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide has a molecular weight of 342.20 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 16574257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).