N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-4-fluorobenzamide

C16H14ClFN2O2 — CID 2240664

IUPACN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-4-fluorobenzamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O2/c1-10-13(17)3-2-4-14(10)20-15(21)9-19-16(22)11-5-7-12(18)8-6-11/h2-8H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyHVODUMPRDLTHHP-UHFFFAOYSA-N
MW320.75 g/mol
LogP3.16
Rot. Bonds4

About N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-4-fluorobenzamide

N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-4-fluorobenzamide (PubChem CID 2240664) has the molecular formula C16H14ClFN2O2 and a molecular weight of 320.75 g/mol. Its IUPAC name is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-4-fluorobenzamide
PubChem CID2240664
Molecular FormulaC16H14ClFN2O2
Molecular Weight320.75 g/mol
Exact Mass320.07
IUPAC NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-4-fluorobenzamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)c1ccc(F)cc1
InChIInChI=1S/C16H14ClFN2O2/c1-10-13(17)3-2-4-14(10)20-15(21)9-19-16(22)11-5-7-12(18)8-6-11/h2-8H,9H2,1H3,(H,19,22)(H,20,21)
InChIKeyHVODUMPRDLTHHP-UHFFFAOYSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Fominoben
CID 3407
Benzamide, N-(3-chloro-2-((methyl(2-(4-morpholinyl)-2-oxoethyl)amino)methyl)phenyl)-, monohydrochloride
CID 3015003
N-(3-Chlorophenyl)benzamide
CID 95833
Avizafone
CID 71968
Acetamide, 2-(acetylamino)-N-(2-benzoyl-4-chlorophenyl)-
CID 200017
Lorzafone
CID 54760
N-(3-chlorophenyl)-3-fluorobenzamide
CID 532008
2-chloro-N-(3-chlorophenyl)benzamide
CID 347063
N-(2-Benzoyl-4-chlorophenyl)-N-methylglycinamide
CID 12746775
3-[(3-chlorophenyl)amino]-4-phenyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 6539457
N-(2-(3-((2S,5R)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide
CID 10003548
N-(2-(3-((2R,5S)-4-(4-fluorobenzyl)-2,5-dimethylpiperazin-1-yl)-3-oxoprop-1-enyl)-5-chlorophenyl)acetamide
CID 10456104

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-4-fluorobenzamide (CID 2240664) is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-4-fluorobenzamide is Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-4-fluorobenzamide?
The InChIKey is HVODUMPRDLTHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O2/c1-10-13(17)3-2-4-14(10)20-15(21)9-19-16(22)11-5-7-12(18)8-6-11/h2-8H,9H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-4-fluorobenzamide?
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-4-fluorobenzamide has a molecular weight of 320.75 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-4-fluorobenzamide is sourced from PubChem (CID 2240664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).