N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-fluorobenzamide

C19H20ClFN2O2 — CID 113057065

IUPACN-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-fluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1cccc(F)c1)CCc1cccc(Cl)c1
InChIInChI=1S/C19H20ClFN2O2/c1-14(24)23(10-8-15-4-2-6-17(20)12-15)11-9-22-19(25)16-5-3-7-18(21)13-16/h2-7,12-13H,8-11H2,1H3,(H,22,25)
InChIKeyKETJYHHLQMIJMV-UHFFFAOYSA-N
MW362.83 g/mol
LogP3.30
Rot. Bonds7

About N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-fluorobenzamide

N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-fluorobenzamide (PubChem CID 113057065) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-fluorobenzamide
PubChem CID113057065
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC NameN-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-fluorobenzamide
SMILESCC(=O)N(CCNC(=O)c1cccc(F)c1)CCc1cccc(Cl)c1
InChIInChI=1S/C19H20ClFN2O2/c1-14(24)23(10-8-15-4-2-6-17(20)12-15)11-9-22-19(25)16-5-3-7-18(21)13-16/h2-7,12-13H,8-11H2,1H3,(H,22,25)
InChIKeyKETJYHHLQMIJMV-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl(2-phenylethyl)amino]ethyl]-3-fluorobenzamide
CID 113055543
N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-2,3,4-trifluorobenzamide
CID 113057088
N-[2-[acetyl-[2-(4-chlorophenyl)ethyl]amino]ethyl]-3,4-difluorobenzamide
CID 113056272
N-[2-(3-chlorophenyl)ethyl]-N-[2-[(4-fluorophenyl)sulfonylamino]ethyl]acetamide
CID 113057110
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide
CID 113059811
3-[acetyl-[2-(3-chlorophenyl)ethyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113123194
N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-3-chlorobenzamide
CID 113054357
N-[2-[acetyl-[2-(3-methoxyphenyl)ethyl]amino]ethyl]-3-methylbenzamide
CID 113055892
N-[2-(N-acetyl-2-chloroanilino)ethyl]-3-fluorobenzamide
CID 113059416
N-[2-[2-(3-chlorophenyl)ethyl-methylsulfonylamino]ethyl]benzamide
CID 113068381
N-[2-[acetyl(pyridin-2-ylmethyl)amino]ethyl]-3-fluorobenzamide
CID 113055172
N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-phenoxypropanamide
CID 113057079

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-fluorobenzamide?
The IUPAC name of N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-fluorobenzamide (CID 113057065) is N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-fluorobenzamide.
What is the SMILES notation for N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-fluorobenzamide?
The canonical SMILES for N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-fluorobenzamide is CC(=O)N(CCNC(=O)c1cccc(F)c1)CCc1cccc(Cl)c1.
What is the InChIKey of N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-fluorobenzamide?
The InChIKey is KETJYHHLQMIJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c1-14(24)23(10-8-15-4-2-6-17(20)12-15)11-9-22-19(25)16-5-3-7-18(21)13-16/h2-7,12-13H,8-11H2,1H3,(H,22,25).
What are the key properties of N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-fluorobenzamide?
N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-fluorobenzamide has a molecular weight of 362.83 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl-[2-(3-chlorophenyl)ethyl]amino]ethyl]-3-fluorobenzamide is sourced from PubChem (CID 113057065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).