2-(3-aminophenyl)-N-(3,5-dichloro-4-fluorophenyl)acetamide

C14H11Cl2FN2O — CID 107571211

IUPAC2-(3-aminophenyl)-N-(3,5-dichloro-4-fluorophenyl)acetamide
SMILESNc1cccc(CC(=O)Nc2cc(Cl)c(F)c(Cl)c2)c1
InChIInChI=1S/C14H11Cl2FN2O/c15-11-6-10(7-12(16)14(11)17)19-13(20)5-8-2-1-3-9(18)4-8/h1-4,6-7H,5,18H2,(H,19,20)
InChIKeyGOZDTVHAEFBBNZ-UHFFFAOYSA-N
MW313.16 g/mol
LogP3.90
Rot. Bonds3

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

2-(3-aminophenyl)-N-(3,5-dichloro-4-fluorophenyl)acetamide (PubChem CID 107571211) has the molecular formula C14H11Cl2FN2O and a molecular weight of 313.16 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-(3,5-dichloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-(3,5-dichloro-4-fluorophenyl)acetamide
PubChem CID107571211
Molecular FormulaC14H11Cl2FN2O
Molecular Weight313.16 g/mol
Exact Mass312.02
IUPAC Name2-(3-aminophenyl)-N-(3,5-dichloro-4-fluorophenyl)acetamide
SMILESNc1cccc(CC(=O)Nc2cc(Cl)c(F)c(Cl)c2)c1
InChIInChI=1S/C14H11Cl2FN2O/c15-11-6-10(7-12(16)14(11)17)19-13(20)5-8-2-1-3-9(18)4-8/h1-4,6-7H,5,18H2,(H,19,20)
InChIKeyGOZDTVHAEFBBNZ-UHFFFAOYSA-N
XLogP3.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.16
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dichloro-4-fluorophenyl)-2-(3-hydroxyphenyl)acetamide
CID 106511124
2-(3-aminophenyl)-N-(3,5-dichlorophenyl)acetamide
CID 28712382
2-(3-aminophenyl)-N-(3-chloro-4-methoxyphenyl)acetamide
CID 28712195
2-(3-aminophenyl)-N-(2,3-dichlorophenyl)acetamide
CID 28712388
2-(3-aminophenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 28712241
2-(3-aminophenyl)-N-(4-chloro-3-pyridinyl)acetamide
CID 83164175
4-[[2-(3-aminophenyl)acetyl]amino]-N-methylbenzamide
CID 62499837
N-(4-amino-3,5-dichlorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 24535666
2-(4-aminophenoxy)-N-(3,5-dichloro-4-fluorophenyl)acetamide
CID 107571144
N-(5-amino-2-fluorophenyl)-2-(3-chlorophenyl)acetamide
CID 55083516
2-(3-aminophenyl)-N-[4-(diethylamino)phenyl]acetamide
CID 28712277
N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-(3,5-dichloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-(3,5-dichloro-4-fluorophenyl)acetamide (CID 107571211) is 2-(3-aminophenyl)-N-(3,5-dichloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-(3,5-dichloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-(3,5-dichloro-4-fluorophenyl)acetamide is Nc1cccc(CC(=O)Nc2cc(Cl)c(F)c(Cl)c2)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-(3,5-dichloro-4-fluorophenyl)acetamide?
The InChIKey is GOZDTVHAEFBBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FN2O/c15-11-6-10(7-12(16)14(11)17)19-13(20)5-8-2-1-3-9(18)4-8/h1-4,6-7H,5,18H2,(H,19,20).
What are the key properties of 2-(3-aminophenyl)-N-(3,5-dichloro-4-fluorophenyl)acetamide?
2-(3-aminophenyl)-N-(3,5-dichloro-4-fluorophenyl)acetamide has a molecular weight of 313.16 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-(3,5-dichloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 107571211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).