N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]-3-fluorobenzamide

C17H15Cl2FN2O2 — CID 113063846

IUPACN-[2-(N-acetyl-2,3-dichloroanilino)ethyl]-3-fluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1cccc(F)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H15Cl2FN2O2/c1-11(23)22(15-7-3-6-14(18)16(15)19)9-8-21-17(24)12-4-2-5-13(20)10-12/h2-7,10H,8-9H2,1H3,(H,21,24)
InChIKeyIBEFEZGBCNKSAM-UHFFFAOYSA-N
MW369.22 g/mol
LogP3.92
Rot. Bonds5

About N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]-3-fluorobenzamide

N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]-3-fluorobenzamide (PubChem CID 113063846) has the molecular formula C17H15Cl2FN2O2 and a molecular weight of 369.22 g/mol. Its IUPAC name is N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2,3-dichloroanilino)ethyl]-3-fluorobenzamide
PubChem CID113063846
Molecular FormulaC17H15Cl2FN2O2
Molecular Weight369.22 g/mol
Exact Mass368.05
IUPAC NameN-[2-(N-acetyl-2,3-dichloroanilino)ethyl]-3-fluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1cccc(F)c1)c1cccc(Cl)c1Cl
InChIInChI=1S/C17H15Cl2FN2O2/c1-11(23)22(15-7-3-6-14(18)16(15)19)9-8-21-17(24)12-4-2-5-13(20)10-12/h2-7,10H,8-9H2,1H3,(H,21,24)
InChIKeyIBEFEZGBCNKSAM-UHFFFAOYSA-N
XLogP3.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.22
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide
CID 113059416
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide
CID 113063841
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide
CID 113059811
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]acetamide
CID 113063828
N-[2-[acetyl(quinolin-8-yl)amino]ethyl]-3-fluorobenzamide
CID 113063161
N-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide
CID 113057546
N-[2-(N-acetyl-3-methylanilino)ethyl]-3-fluorobenzamide
CID 113057422
N-[2-(N-acetyl-3,4-difluoroanilino)ethyl]-3-fluorobenzamide
CID 113064610
N-[2-(N-acetyl-2-fluoroanilino)ethyl]-3-methoxybenzamide
CID 113059178
N-[2-(N-acetyl-3-fluoroanilino)ethyl]-3,4-difluorobenzamide
CID 113062649
N-[2-(N-acetyl-2-chloroanilino)ethyl]-3,4-dimethoxybenzamide
CID 113059429
N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-chlorobenzamide
CID 113063620

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]-3-fluorobenzamide (CID 113063846) is N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]-3-fluorobenzamide is CC(=O)N(CCNC(=O)c1cccc(F)c1)c1cccc(Cl)c1Cl.
What is the InChIKey of N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]-3-fluorobenzamide?
The InChIKey is IBEFEZGBCNKSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2FN2O2/c1-11(23)22(15-7-3-6-14(18)16(15)19)9-8-21-17(24)12-4-2-5-13(20)10-12/h2-7,10H,8-9H2,1H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]-3-fluorobenzamide?
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]-3-fluorobenzamide has a molecular weight of 369.22 g/mol, XLogP of 3.92, 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-2,3-dichloroanilino)ethyl]-3-fluorobenzamide is sourced from PubChem (CID 113063846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).