N-[1-(3,4-dichlorophenyl)ethyl]-2-fluoro-5-methylbenzamide

C16H14Cl2FNO — CID 62513333

IUPACN-[1-(3,4-dichlorophenyl)ethyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC(C)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H14Cl2FNO/c1-9-3-6-15(19)12(7-9)16(21)20-10(2)11-4-5-13(17)14(18)8-11/h3-8,10H,1-2H3,(H,20,21)
InChIKeyRMXVLGDTJHGBLC-UHFFFAOYSA-N
MW326.20 g/mol
LogP4.93
Rot. Bonds3

About N-[1-(3,4-dichlorophenyl)ethyl]-2-fluoro-5-methylbenzamide

N-[1-(3,4-dichlorophenyl)ethyl]-2-fluoro-5-methylbenzamide (PubChem CID 62513333) has the molecular formula C16H14Cl2FNO and a molecular weight of 326.20 g/mol. Its IUPAC name is N-[1-(3,4-dichlorophenyl)ethyl]-2-fluoro-5-methylbenzamide.

Molecular Properties

Compound NameN-[1-(3,4-dichlorophenyl)ethyl]-2-fluoro-5-methylbenzamide
PubChem CID62513333
Molecular FormulaC16H14Cl2FNO
Molecular Weight326.20 g/mol
Exact Mass325.04
IUPAC NameN-[1-(3,4-dichlorophenyl)ethyl]-2-fluoro-5-methylbenzamide
SMILESCc1ccc(F)c(C(=O)NC(C)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C16H14Cl2FNO/c1-9-3-6-15(19)12(7-9)16(21)20-10(2)11-4-5-13(17)14(18)8-11/h3-8,10H,1-2H3,(H,20,21)
InChIKeyRMXVLGDTJHGBLC-UHFFFAOYSA-N
XLogP4.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide
CID 60674629
2-fluoro-5-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 62511341
N-[1-(4-bromophenyl)ethyl]-2-fluoro-5-methylbenzamide
CID 62515712
2-fluoro-N-[1-[4-(hydroxycarbamoyl)phenyl]ethyl]-5-methylbenzamide
CID 53374350
2-fluoro-5-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 62512005
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
2-chloro-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 146985648
2,4-dichloro-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43915384
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
1-(3-chloro-4-fluorophenyl)ethylurea
CID 121418014
4-amino-N-[1-(3,4-dichlorophenyl)ethyl]-3-fluorobenzamide
CID 63188927
5-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 94049074

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-2-fluoro-5-methylbenzamide?
The IUPAC name of N-[1-(3,4-dichlorophenyl)ethyl]-2-fluoro-5-methylbenzamide (CID 62513333) is N-[1-(3,4-dichlorophenyl)ethyl]-2-fluoro-5-methylbenzamide.
What is the SMILES notation for N-[1-(3,4-dichlorophenyl)ethyl]-2-fluoro-5-methylbenzamide?
The canonical SMILES for N-[1-(3,4-dichlorophenyl)ethyl]-2-fluoro-5-methylbenzamide is Cc1ccc(F)c(C(=O)NC(C)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-[1-(3,4-dichlorophenyl)ethyl]-2-fluoro-5-methylbenzamide?
The InChIKey is RMXVLGDTJHGBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FNO/c1-9-3-6-15(19)12(7-9)16(21)20-10(2)11-4-5-13(17)14(18)8-11/h3-8,10H,1-2H3,(H,20,21).
What are the key properties of N-[1-(3,4-dichlorophenyl)ethyl]-2-fluoro-5-methylbenzamide?
N-[1-(3,4-dichlorophenyl)ethyl]-2-fluoro-5-methylbenzamide has a molecular weight of 326.20 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dichlorophenyl)ethyl]-2-fluoro-5-methylbenzamide is sourced from PubChem (CID 62513333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).