3-acetamido-N-[5-chloro-2-(ethylamino)phenyl]-4-fluorobenzamide

C17H17ClFN3O2 — CID 75448856

IUPAC3-acetamido-N-[5-chloro-2-(ethylamino)phenyl]-4-fluorobenzamide
SMILESCCNc1ccc(Cl)cc1NC(=O)c1ccc(F)c(NC(C)=O)c1
InChIInChI=1S/C17H17ClFN3O2/c1-3-20-14-7-5-12(18)9-16(14)22-17(24)11-4-6-13(19)15(8-11)21-10(2)23/h4-9,20H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKAHJHYLYWRYPNX-UHFFFAOYSA-N
MW349.79 g/mol
LogP4.12
Rot. Bonds5

About 3-acetamido-N-[5-chloro-2-(ethylamino)phenyl]-4-fluorobenzamide

3-acetamido-N-[5-chloro-2-(ethylamino)phenyl]-4-fluorobenzamide (PubChem CID 75448856) has the molecular formula C17H17ClFN3O2 and a molecular weight of 349.79 g/mol. Its IUPAC name is 3-acetamido-N-[5-chloro-2-(ethylamino)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-acetamido-N-[5-chloro-2-(ethylamino)phenyl]-4-fluorobenzamide
PubChem CID75448856
Molecular FormulaC17H17ClFN3O2
Molecular Weight349.79 g/mol
Exact Mass349.10
IUPAC Name3-acetamido-N-[5-chloro-2-(ethylamino)phenyl]-4-fluorobenzamide
SMILESCCNc1ccc(Cl)cc1NC(=O)c1ccc(F)c(NC(C)=O)c1
InChIInChI=1S/C17H17ClFN3O2/c1-3-20-14-7-5-12(18)9-16(14)22-17(24)11-4-6-13(19)15(8-11)21-10(2)23/h4-9,20H,3H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyKAHJHYLYWRYPNX-UHFFFAOYSA-N
XLogP4.12
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-(ethylamino)-N-(2-fluoro-5-methylphenyl)benzamide
CID 62166155
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
4-bromo-3-chloro-N-(5-chloro-2-fluorophenyl)benzamide
CID 81308166
3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide
CID 119506215
N-(5-chloro-2-fluorophenyl)-5-(ethylamino)pyridine-2-carboxamide
CID 104640210
3-acetamido-N-[2-(ethylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119506214
N-(2,5-difluorophenyl)-4-(ethylamino)benzamide
CID 62172591
3-acetamido-N-[4-(diethylamino)phenyl]-4-fluorobenzamide
CID 60564329
4-chloro-1-N,2-N-diethylbenzene-1,2-diamine
CID 68788018
N-(5-chloro-2-methylphenyl)-4-(ethylamino)benzamide
CID 62185728
3-acetamido-4-fluoro-N-(1-hydroxypropan-2-yl)benzamide
CID 110903075
N-(4-chloro-2-fluorophenyl)-3,4-difluorobenzamide
CID 30430307

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[5-chloro-2-(ethylamino)phenyl]-4-fluorobenzamide?
The IUPAC name of 3-acetamido-N-[5-chloro-2-(ethylamino)phenyl]-4-fluorobenzamide (CID 75448856) is 3-acetamido-N-[5-chloro-2-(ethylamino)phenyl]-4-fluorobenzamide.
What is the SMILES notation for 3-acetamido-N-[5-chloro-2-(ethylamino)phenyl]-4-fluorobenzamide?
The canonical SMILES for 3-acetamido-N-[5-chloro-2-(ethylamino)phenyl]-4-fluorobenzamide is CCNc1ccc(Cl)cc1NC(=O)c1ccc(F)c(NC(C)=O)c1.
What is the InChIKey of 3-acetamido-N-[5-chloro-2-(ethylamino)phenyl]-4-fluorobenzamide?
The InChIKey is KAHJHYLYWRYPNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O2/c1-3-20-14-7-5-12(18)9-16(14)22-17(24)11-4-6-13(19)15(8-11)21-10(2)23/h4-9,20H,3H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-acetamido-N-[5-chloro-2-(ethylamino)phenyl]-4-fluorobenzamide?
3-acetamido-N-[5-chloro-2-(ethylamino)phenyl]-4-fluorobenzamide has a molecular weight of 349.79 g/mol, XLogP of 4.12, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[5-chloro-2-(ethylamino)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 75448856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).