N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide

C18H18ClFN2O2 — CID 113059896

IUPACN-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1F)c1ccc(Cl)cc1C
InChIInChI=1S/C18H18ClFN2O2/c1-12-11-14(19)7-8-17(12)22(13(2)23)10-9-21-18(24)15-5-3-4-6-16(15)20/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyKGCQIMZATVELAV-UHFFFAOYSA-N
MW348.81 g/mol
LogP3.57
Rot. Bonds5

About N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide

N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide (PubChem CID 113059896) has the molecular formula C18H18ClFN2O2 and a molecular weight of 348.81 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide
PubChem CID113059896
Molecular FormulaC18H18ClFN2O2
Molecular Weight348.81 g/mol
Exact Mass348.10
IUPAC NameN-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1F)c1ccc(Cl)cc1C
InChIInChI=1S/C18H18ClFN2O2/c1-12-11-14(19)7-8-17(12)22(13(2)23)10-9-21-18(24)15-5-3-4-6-16(15)20/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyKGCQIMZATVELAV-UHFFFAOYSA-N
XLogP3.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.81
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(N-acetyl-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113057297
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
CID 113059892
N-[2-[N-acetyl-4-(diethylamino)-2-methylanilino]ethyl]-2-fluorobenzamide
CID 113063996
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide
CID 113059807
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide
CID 113059832
N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-2-chlorobenzamide
CID 113057694
N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-chlorobenzamide
CID 113063620
N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-fluorobenzamide
CID 113058782
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]thiophene-2-carboxamide
CID 113059891
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide
CID 113059811
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-3,5-dimethoxybenzamide
CID 113059902
ethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate
CID 113059937

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide?
The IUPAC name of N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide (CID 113059896) is N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide.
What is the SMILES notation for N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide?
The canonical SMILES for N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide is CC(=O)N(CCNC(=O)c1ccccc1F)c1ccc(Cl)cc1C.
What is the InChIKey of N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide?
The InChIKey is KGCQIMZATVELAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN2O2/c1-12-11-14(19)7-8-17(12)22(13(2)23)10-9-21-18(24)15-5-3-4-6-16(15)20/h3-8,11H,9-10H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide?
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide has a molecular weight of 348.81 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide is sourced from PubChem (CID 113059896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).