N-(3-fluorophenyl)-2-(2,4,5-trichloroanilino)acetamide

C14H10Cl3FN2O — CID 29046314

IUPACN-(3-fluorophenyl)-2-(2,4,5-trichloroanilino)acetamide
SMILESO=C(CNc1cc(Cl)c(Cl)cc1Cl)Nc1cccc(F)c1
InChIInChI=1S/C14H10Cl3FN2O/c15-10-5-12(17)13(6-11(10)16)19-7-14(21)20-9-3-1-2-8(18)4-9/h1-6,19H,7H2,(H,20,21)
InChIKeyYKIRKKSILHNFLP-UHFFFAOYSA-N
MW347.60 g/mol
LogP4.84
Rot. Bonds4

About N-(3-fluorophenyl)-2-(2,4,5-trichloroanilino)acetamide

N-(3-fluorophenyl)-2-(2,4,5-trichloroanilino)acetamide (PubChem CID 29046314) has the molecular formula C14H10Cl3FN2O and a molecular weight of 347.60 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(2,4,5-trichloroanilino)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(2,4,5-trichloroanilino)acetamide
PubChem CID29046314
Molecular FormulaC14H10Cl3FN2O
Molecular Weight347.60 g/mol
Exact Mass345.98
IUPAC NameN-(3-fluorophenyl)-2-(2,4,5-trichloroanilino)acetamide
SMILESO=C(CNc1cc(Cl)c(Cl)cc1Cl)Nc1cccc(F)c1
InChIInChI=1S/C14H10Cl3FN2O/c15-10-5-12(17)13(6-11(10)16)19-7-14(21)20-9-3-1-2-8(18)4-9/h1-6,19H,7H2,(H,20,21)
InChIKeyYKIRKKSILHNFLP-UHFFFAOYSA-N
XLogP4.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.60
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(5-bromo-2-chloroanilino)-N-(3-fluorophenyl)acetamide
CID 62914693
N-(3-bromophenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 28515380
N-[3-[[2-(2,4,5-trichloroanilino)acetyl]amino]phenyl]butanamide
CID 54816397
2-(4-chloro-2-methylanilino)-N-(3-fluorophenyl)acetamide
CID 26507132
N-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816701
2-(3-chloro-4-fluoroanilino)-N-(3-fluorophenyl)acetamide
CID 9099614
2-(2-chloro-6-fluoroanilino)-N-(3-fluorophenyl)acetamide
CID 104530695
2-(2-bromo-4-chloroanilino)-N-(3-fluorophenyl)acetamide
CID 81271498
2-[2-(dimethylamino)anilino]-N-(3-fluorophenyl)acetamide
CID 106759867
2-[4-chloro-2-(trifluoromethyl)anilino]-N-(3-fluorophenyl)acetamide
CID 109010763
2-(2-ethylanilino)-N-(3-fluorophenyl)acetamide
CID 9105176
2-(2-chloro-4,6-dimethylanilino)-N-(3-fluorophenyl)acetamide
CID 42125202

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(2,4,5-trichloroanilino)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(2,4,5-trichloroanilino)acetamide (CID 29046314) is N-(3-fluorophenyl)-2-(2,4,5-trichloroanilino)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(2,4,5-trichloroanilino)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(2,4,5-trichloroanilino)acetamide is O=C(CNc1cc(Cl)c(Cl)cc1Cl)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-(2,4,5-trichloroanilino)acetamide?
The InChIKey is YKIRKKSILHNFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3FN2O/c15-10-5-12(17)13(6-11(10)16)19-7-14(21)20-9-3-1-2-8(18)4-9/h1-6,19H,7H2,(H,20,21).
What are the key properties of N-(3-fluorophenyl)-2-(2,4,5-trichloroanilino)acetamide?
N-(3-fluorophenyl)-2-(2,4,5-trichloroanilino)acetamide has a molecular weight of 347.60 g/mol, XLogP of 4.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(2,4,5-trichloroanilino)acetamide is sourced from PubChem (CID 29046314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).