N-(3-chloro-4-cyanophenyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide

C18H17ClFN3O — CID 18196458

IUPACN-(3-chloro-4-cyanophenyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccc(F)c1
InChIInChI=1S/C18H17ClFN3O/c1-2-23(11-13-4-3-5-15(20)8-13)12-18(24)22-16-7-6-14(10-21)17(19)9-16/h3-9H,2,11-12H2,1H3,(H,22,24)
InChIKeyZQGRQCGXQSJDLX-UHFFFAOYSA-N
MW345.81 g/mol
LogP3.81
Rot. Bonds6

About N-(3-chloro-4-cyanophenyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide

N-(3-chloro-4-cyanophenyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide (PubChem CID 18196458) has the molecular formula C18H17ClFN3O and a molecular weight of 345.81 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
PubChem CID18196458
Molecular FormulaC18H17ClFN3O
Molecular Weight345.81 g/mol
Exact Mass345.10
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
SMILESCCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccc(F)c1
InChIInChI=1S/C18H17ClFN3O/c1-2-23(11-13-4-3-5-15(20)8-13)12-18(24)22-16-7-6-14(10-21)17(19)9-16/h3-9H,2,11-12H2,1H3,(H,22,24)
InChIKeyZQGRQCGXQSJDLX-UHFFFAOYSA-N
XLogP3.81
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]acetamide
CID 9349330
2-[1,3-benzodioxol-5-ylmethyl(ethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide
CID 16609168
2-[benzyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide
CID 110881066
2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-(4-methylsulfonylphenyl)acetamide
CID 17443267
2-[butyl(2-hydroxyethyl)amino]-N-(3-chloro-4-cyanophenyl)acetamide
CID 60689275
2-[(4-cyanophenyl)methyl-[(3-fluorophenyl)methyl]amino]-N-(4-methoxyphenyl)acetamide
CID 55986734
N-(3-chloro-4-cyanophenyl)-2-[2-cyanoethyl(furan-2-ylmethyl)amino]acetamide
CID 86910978
N-(3-fluorophenyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 9223772
2-[ethyl-[(3-fluorophenyl)methyl]amino]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 41375343
N-(3-chloro-4-cyanophenyl)-2-[methyl(1-phenylethyl)amino]acetamide
CID 18191756
N-(tert-butylcarbamoyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide
CID 51200030
2-[[ethyl-[(3-fluorophenyl)methyl]amino]methyl]benzonitrile
CID 51110440

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide (CID 18196458) is N-(3-chloro-4-cyanophenyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide is CCN(CC(=O)Nc1ccc(C#N)c(Cl)c1)Cc1cccc(F)c1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide?
The InChIKey is ZQGRQCGXQSJDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O/c1-2-23(11-13-4-3-5-15(20)8-13)12-18(24)22-16-7-6-14(10-21)17(19)9-16/h3-9H,2,11-12H2,1H3,(H,22,24).
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide?
N-(3-chloro-4-cyanophenyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide has a molecular weight of 345.81 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-[ethyl-[(3-fluorophenyl)methyl]amino]acetamide is sourced from PubChem (CID 18196458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).