2-(N-acetyl-3-chloro-4-fluoroanilino)-N-ethyl-N-(3-methylphenyl)acetamide

C19H20ClFN2O2 — CID 113172485

IUPAC2-(N-acetyl-3-chloro-4-fluoroanilino)-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CN(C(C)=O)c1ccc(F)c(Cl)c1)c1cccc(C)c1
InChIInChI=1S/C19H20ClFN2O2/c1-4-22(15-7-5-6-13(2)10-15)19(25)12-23(14(3)24)16-8-9-18(21)17(20)11-16/h5-11H,4,12H2,1-3H3
InChIKeyDQZDKXJKRLPPBT-UHFFFAOYSA-N
MW362.83 g/mol
LogP4.19
Rot. Bonds5

About 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-ethyl-N-(3-methylphenyl)acetamide

2-(N-acetyl-3-chloro-4-fluoroanilino)-N-ethyl-N-(3-methylphenyl)acetamide (PubChem CID 113172485) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-ethyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-chloro-4-fluoroanilino)-N-ethyl-N-(3-methylphenyl)acetamide
PubChem CID113172485
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Name2-(N-acetyl-3-chloro-4-fluoroanilino)-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CN(C(C)=O)c1ccc(F)c(Cl)c1)c1cccc(C)c1
InChIInChI=1S/C19H20ClFN2O2/c1-4-22(15-7-5-6-13(2)10-15)19(25)12-23(14(3)24)16-8-9-18(21)17(20)11-16/h5-11H,4,12H2,1-3H3
InChIKeyDQZDKXJKRLPPBT-UHFFFAOYSA-N
XLogP4.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-3,4-dichloroanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113179532
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
2-(N-acetyl-5-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113171988
3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127504
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113180492
methyl 4-[acetyl-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]amino]benzoate
CID 113176496
2-amino-N-(3-chloro-4-fluorophenyl)-N-ethylacetamide
CID 28794782
2-(N-acetyl-3-methylanilino)-N,N-dipropylacetamide
CID 113167538
3-(N-acetyl-3-methylanilino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 113123846
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127653
3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113134364

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-ethyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-ethyl-N-(3-methylphenyl)acetamide (CID 113172485) is 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-ethyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-ethyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-ethyl-N-(3-methylphenyl)acetamide is CCN(C(=O)CN(C(C)=O)c1ccc(F)c(Cl)c1)c1cccc(C)c1.
What is the InChIKey of 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-ethyl-N-(3-methylphenyl)acetamide?
The InChIKey is DQZDKXJKRLPPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c1-4-22(15-7-5-6-13(2)10-15)19(25)12-23(14(3)24)16-8-9-18(21)17(20)11-16/h5-11H,4,12H2,1-3H3.
What are the key properties of 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-ethyl-N-(3-methylphenyl)acetamide?
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-ethyl-N-(3-methylphenyl)acetamide has a molecular weight of 362.83 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-chloro-4-fluoroanilino)-N-ethyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 113172485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).