2-(3-acetamidoanilino)-N-(2,4,5-trichlorophenyl)acetamide

C16H14Cl3N3O2 — CID 54831443

IUPAC2-(3-acetamidoanilino)-N-(2,4,5-trichlorophenyl)acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C16H14Cl3N3O2/c1-9(23)21-11-4-2-3-10(5-11)20-8-16(24)22-15-7-13(18)12(17)6-14(15)19/h2-7,20H,8H2,1H3,(H,21,23)(H,22,24)
InChIKeyQNORGAYYWNOPBD-UHFFFAOYSA-N
MW386.67 g/mol
LogP4.66
Rot. Bonds5

About 2-(3-acetamidoanilino)-N-(2,4,5-trichlorophenyl)acetamide

2-(3-acetamidoanilino)-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 54831443) has the molecular formula C16H14Cl3N3O2 and a molecular weight of 386.67 g/mol. Its IUPAC name is 2-(3-acetamidoanilino)-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-acetamidoanilino)-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID54831443
Molecular FormulaC16H14Cl3N3O2
Molecular Weight386.67 g/mol
Exact Mass385.02
IUPAC Name2-(3-acetamidoanilino)-N-(2,4,5-trichlorophenyl)acetamide
SMILESCC(=O)Nc1cccc(NCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1
InChIInChI=1S/C16H14Cl3N3O2/c1-9(23)21-11-4-2-3-10(5-11)20-8-16(24)22-15-7-13(18)12(17)6-14(15)19/h2-7,20H,8H2,1H3,(H,21,23)(H,22,24)
InChIKeyQNORGAYYWNOPBD-UHFFFAOYSA-N
XLogP4.66
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.67
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-propan-2-yloxyanilino)-N-(2,4,5-trichlorophenyl)acetamide
CID 54829901
N-[3-[[2-(2,4,5-trichloroanilino)acetyl]amino]phenyl]butanamide
CID 54816397
N-(3-acetamidophenyl)-2-(3,5-dimethylanilino)acetamide
CID 39450231
2-(3-acetylanilino)-N-(2-chloro-4-methylphenyl)acetamide
CID 9084577
N-[3-[[2-(2-chloroanilino)-2-oxoethyl]amino]phenyl]propanamide
CID 54833047
N-(3-fluorophenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 29046314
N-(3-bromophenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 28515380
N-[5-[[2-(3-acetamidoanilino)acetyl]amino]-2-methylphenyl]propanamide
CID 54831751
N-(3-methoxyphenyl)-2-(2,4,5-trichloroanilino)acetamide
CID 54816701
N-[3-[[2-(2,5-dichloroanilino)-2-oxoethyl]amino]phenyl]butanamide
CID 54830652
2-(4-acetamidoanilino)-N-(2,3-dichlorophenyl)acetamide
CID 54808241
N-[2-methyl-3-[[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]phenyl]propanamide
CID 54844752

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetamidoanilino)-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-(3-acetamidoanilino)-N-(2,4,5-trichlorophenyl)acetamide (CID 54831443) is 2-(3-acetamidoanilino)-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(3-acetamidoanilino)-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-(3-acetamidoanilino)-N-(2,4,5-trichlorophenyl)acetamide is CC(=O)Nc1cccc(NCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c1.
What is the InChIKey of 2-(3-acetamidoanilino)-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is QNORGAYYWNOPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl3N3O2/c1-9(23)21-11-4-2-3-10(5-11)20-8-16(24)22-15-7-13(18)12(17)6-14(15)19/h2-7,20H,8H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-(3-acetamidoanilino)-N-(2,4,5-trichlorophenyl)acetamide?
2-(3-acetamidoanilino)-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 386.67 g/mol, XLogP of 4.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetamidoanilino)-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 54831443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).