2-(3,5-dichloro-4-fluoroanilino)acetamide

C8H7Cl2FN2O — CID 107573760

IUPAC2-(3,5-dichloro-4-fluoroanilino)acetamide
SMILESNC(=O)CNc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C8H7Cl2FN2O/c9-5-1-4(13-3-7(12)14)2-6(10)8(5)11/h1-2,13H,3H2,(H2,12,14)
InChIKeyUKBWNEAYLHRUER-UHFFFAOYSA-N
MW237.06 g/mol
LogP2.03
Rot. Bonds3

About 2-(3,5-dichloro-4-fluoroanilino)acetamide

2-(3,5-dichloro-4-fluoroanilino)acetamide (PubChem CID 107573760) has the molecular formula C8H7Cl2FN2O and a molecular weight of 237.06 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-fluoroanilino)acetamide.

Molecular Properties

Compound Name2-(3,5-dichloro-4-fluoroanilino)acetamide
PubChem CID107573760
Molecular FormulaC8H7Cl2FN2O
Molecular Weight237.06 g/mol
Exact Mass235.99
IUPAC Name2-(3,5-dichloro-4-fluoroanilino)acetamide
SMILESNC(=O)CNc1cc(Cl)c(F)c(Cl)c1
InChIInChI=1S/C8H7Cl2FN2O/c9-5-1-4(13-3-7(12)14)2-6(10)8(5)11/h1-2,13H,3H2,(H2,12,14)
InChIKeyUKBWNEAYLHRUER-UHFFFAOYSA-N
XLogP2.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.06
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3,5-dichloro-4-fluoroanilino)propanamide
CID 107573902
2-(3,5-dichloro-4-fluoroanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 103579817
propan-2-yl 2-(3,5-dichloro-4-fluoroanilino)acetate
CID 107574010
N-(2-chlorophenyl)-2-(3,5-dichloro-4-fluoroanilino)acetamide
CID 107573991
2-(4-chloroanilino)acetamide
CID 22320740
3-(3,5-dichloro-4-fluoroanilino)-2,2-dimethylpropanoic acid
CID 107573955
2-(3,5-dichloro-4-fluoroanilino)-N-(3-methylphenyl)acetamide
CID 107574072
3-amino-N-(3,5-dichloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 107574504
3-(3,5-dichloro-4-fluoroanilino)-N-ethylpropanamide
CID 107574011
2-(3-chloro-4-propan-2-yloxyanilino)acetamide
CID 96674678
2-[4-[(3,5-dichloro-4-fluoroanilino)methyl]phenyl]acetic acid
CID 107575639
ethyl 2-[2-(3,5-dichloro-4-fluoroanilino)ethoxy]acetate
CID 107575606

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-fluoroanilino)acetamide?
The IUPAC name of 2-(3,5-dichloro-4-fluoroanilino)acetamide (CID 107573760) is 2-(3,5-dichloro-4-fluoroanilino)acetamide.
What is the SMILES notation for 2-(3,5-dichloro-4-fluoroanilino)acetamide?
The canonical SMILES for 2-(3,5-dichloro-4-fluoroanilino)acetamide is NC(=O)CNc1cc(Cl)c(F)c(Cl)c1.
What is the InChIKey of 2-(3,5-dichloro-4-fluoroanilino)acetamide?
The InChIKey is UKBWNEAYLHRUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2FN2O/c9-5-1-4(13-3-7(12)14)2-6(10)8(5)11/h1-2,13H,3H2,(H2,12,14).
What are the key properties of 2-(3,5-dichloro-4-fluoroanilino)acetamide?
2-(3,5-dichloro-4-fluoroanilino)acetamide has a molecular weight of 237.06 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-fluoroanilino)acetamide is sourced from PubChem (CID 107573760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).