2-(5-acetamido-2-chloroanilino)-N-[(4-fluorophenyl)methyl]acetamide

C17H17ClFN3O2 — CID 56787287

IUPAC2-(5-acetamido-2-chloroanilino)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)c(NCC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C17H17ClFN3O2/c1-11(23)22-14-6-7-15(18)16(8-14)20-10-17(24)21-9-12-2-4-13(19)5-3-12/h2-8,20H,9-10H2,1H3,(H,21,24)(H,22,23)
InChIKeyVPKWIQXIUCYYOW-UHFFFAOYSA-N
MW349.79 g/mol
LogP3.17
Rot. Bonds6

About 2-(5-acetamido-2-chloroanilino)-N-[(4-fluorophenyl)methyl]acetamide

2-(5-acetamido-2-chloroanilino)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 56787287) has the molecular formula C17H17ClFN3O2 and a molecular weight of 349.79 g/mol. Its IUPAC name is 2-(5-acetamido-2-chloroanilino)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(5-acetamido-2-chloroanilino)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID56787287
Molecular FormulaC17H17ClFN3O2
Molecular Weight349.79 g/mol
Exact Mass349.10
IUPAC Name2-(5-acetamido-2-chloroanilino)-N-[(4-fluorophenyl)methyl]acetamide
SMILESCC(=O)Nc1ccc(Cl)c(NCC(=O)NCc2ccc(F)cc2)c1
InChIInChI=1S/C17H17ClFN3O2/c1-11(23)22-14-6-7-15(18)16(8-14)20-10-17(24)21-9-12-2-4-13(19)5-3-12/h2-8,20H,9-10H2,1H3,(H,21,24)(H,22,23)
InChIKeyVPKWIQXIUCYYOW-UHFFFAOYSA-N
XLogP3.17
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-acetamido-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 60537701
2-(5-acetamido-2-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 37262693
N-[4-chloro-3-[[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]amino]phenyl]butanamide
CID 54831206
2-(2-chloro-5-methylanilino)-N-(4-fluorophenyl)acetamide
CID 103768049
N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide
CID 26437770
2-(2-chloro-4-fluoroanilino)-N-[(4-methoxyphenyl)methyl]acetamide
CID 26437643
N-[(4-acetamidophenyl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
CID 18153979
N-[(4-chlorophenyl)methyl]-2-[2-chloro-5-(trifluoromethyl)anilino]acetamide
CID 108998258
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 26022207
4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 18194972
2-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 109000569
2-[4-(dimethylamino)anilino]-N-[(4-fluorophenyl)methyl]acetamide
CID 108997892

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-2-chloroanilino)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(5-acetamido-2-chloroanilino)-N-[(4-fluorophenyl)methyl]acetamide (CID 56787287) is 2-(5-acetamido-2-chloroanilino)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(5-acetamido-2-chloroanilino)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(5-acetamido-2-chloroanilino)-N-[(4-fluorophenyl)methyl]acetamide is CC(=O)Nc1ccc(Cl)c(NCC(=O)NCc2ccc(F)cc2)c1.
What is the InChIKey of 2-(5-acetamido-2-chloroanilino)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is VPKWIQXIUCYYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O2/c1-11(23)22-14-6-7-15(18)16(8-14)20-10-17(24)21-9-12-2-4-13(19)5-3-12/h2-8,20H,9-10H2,1H3,(H,21,24)(H,22,23).
What are the key properties of 2-(5-acetamido-2-chloroanilino)-N-[(4-fluorophenyl)methyl]acetamide?
2-(5-acetamido-2-chloroanilino)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 349.79 g/mol, XLogP of 3.17, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-2-chloroanilino)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 56787287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).