4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-fluorobenzamide

C17H17ClFNO — CID 133262276

IUPAC4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-fluorobenzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(Cl)cc2F)cc1C
InChIInChI=1S/C17H17ClFNO/c1-10-4-5-13(8-11(10)2)12(3)20-17(21)15-7-6-14(18)9-16(15)19/h4-9,12H,1-3H3,(H,20,21)
InChIKeyQKSNQAZBWGFRSV-UHFFFAOYSA-N
MW305.78 g/mol
LogP4.59
Rot. Bonds3

About 4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-fluorobenzamide

4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-fluorobenzamide (PubChem CID 133262276) has the molecular formula C17H17ClFNO and a molecular weight of 305.78 g/mol. Its IUPAC name is 4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-fluorobenzamide
PubChem CID133262276
Molecular FormulaC17H17ClFNO
Molecular Weight305.78 g/mol
Exact Mass305.10
IUPAC Name4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-fluorobenzamide
SMILESCc1ccc(C(C)NC(=O)c2ccc(Cl)cc2F)cc1C
InChIInChI=1S/C17H17ClFNO/c1-10-4-5-13(8-11(10)2)12(3)20-17(21)15-7-6-14(18)9-16(15)19/h4-9,12H,1-3H3,(H,20,21)
InChIKeyQKSNQAZBWGFRSV-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.78
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[(1R)-1-(3,4-dimethylphenyl)propyl]-2-fluorobenzamide
CID 100565359
4-chloro-2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 26004040
N-[1-(3,4-dimethylphenyl)ethyl]-2,4,5-trimethylbenzamide
CID 133230643
2-amino-4-chloro-N-[1-(3,4-difluorophenyl)ethyl]benzamide
CID 62073815
5-chloro-N-[1-(3,4-dichlorophenyl)ethyl]-2-fluorobenzamide
CID 60674629
N-but-3-yn-2-yl-4-chloro-2-fluorobenzamide
CID 114390061
5-chloro-2-fluoro-N-[(1R)-1-(4-fluorophenyl)ethyl]benzamide
CID 92538270
4-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81232777
2,4-dichloro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzamide
CID 16574257
[2-[[(1R)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 5-chloro-2-fluorobenzoate
CID 8624814
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide
CID 9335310
5-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-fluorobenzamide
CID 94049074

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-fluorobenzamide?
The IUPAC name of 4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-fluorobenzamide (CID 133262276) is 4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-fluorobenzamide?
The canonical SMILES for 4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-fluorobenzamide is Cc1ccc(C(C)NC(=O)c2ccc(Cl)cc2F)cc1C.
What is the InChIKey of 4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-fluorobenzamide?
The InChIKey is QKSNQAZBWGFRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO/c1-10-4-5-13(8-11(10)2)12(3)20-17(21)15-7-6-14(18)9-16(15)19/h4-9,12H,1-3H3,(H,20,21).
What are the key properties of 4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-fluorobenzamide?
4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-fluorobenzamide has a molecular weight of 305.78 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 133262276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).