4-(2-amino-4-chloro-5-fluorophenoxy)-3,5-dimethylbenzamide

C15H14ClFN2O2 — CID 66077328

IUPAC4-(2-amino-4-chloro-5-fluorophenoxy)-3,5-dimethylbenzamide
SMILESCc1cc(C(N)=O)cc(C)c1Oc1cc(F)c(Cl)cc1N
InChIInChI=1S/C15H14ClFN2O2/c1-7-3-9(15(19)20)4-8(2)14(7)21-13-6-11(17)10(16)5-12(13)18/h3-6H,18H2,1-2H3,(H2,19,20)
InChIKeyNTUHSXZMJJJTLM-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.57
Rot. Bonds3

About 4-(2-amino-4-chloro-5-fluorophenoxy)-3,5-dimethylbenzamide

4-(2-amino-4-chloro-5-fluorophenoxy)-3,5-dimethylbenzamide (PubChem CID 66077328) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is 4-(2-amino-4-chloro-5-fluorophenoxy)-3,5-dimethylbenzamide.

Molecular Properties

Compound Name4-(2-amino-4-chloro-5-fluorophenoxy)-3,5-dimethylbenzamide
PubChem CID66077328
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC Name4-(2-amino-4-chloro-5-fluorophenoxy)-3,5-dimethylbenzamide
SMILESCc1cc(C(N)=O)cc(C)c1Oc1cc(F)c(Cl)cc1N
InChIInChI=1S/C15H14ClFN2O2/c1-7-3-9(15(19)20)4-8(2)14(7)21-13-6-11(17)10(16)5-12(13)18/h3-6H,18H2,1-2H3,(H2,19,20)
InChIKeyNTUHSXZMJJJTLM-UHFFFAOYSA-N
XLogP3.57
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-amino-4-cyanophenoxy)-3,5-dimethylbenzamide
CID 65455621
4-[(3-amino-6-chloro-2-pyridinyl)oxy]-3,5-dimethylbenzamide
CID 115474547
(2-amino-4-chloro-5-fluorophenyl) N-methylcarbamate
CID 164648951
3-amino-4-(4-chloro-2-methylphenoxy)benzamide
CID 43448530
4-[(4-amino-5-methyl-2-pyridinyl)oxy]-3,5-dimethylbenzamide
CID 83269691
5-chloro-4-fluoro-2-(3-methylphenoxy)aniline
CID 66077893
5-chloro-4-fluoro-2-phenoxyaniline
CID 66078478
4-amino-3-(4-cyano-2,6-dimethylphenoxy)benzamide
CID 65455237
3,4-dichloro-5-methylbenzamide
CID 121228378
5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline
CID 66077320
4-amino-3-(4-chloro-2-methylphenoxy)benzamide
CID 55188748
2-(4-chloro-2,6-dimethylphenoxy)-4-ethoxy-5-fluoroaniline
CID 63591823

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-4-chloro-5-fluorophenoxy)-3,5-dimethylbenzamide?
The IUPAC name of 4-(2-amino-4-chloro-5-fluorophenoxy)-3,5-dimethylbenzamide (CID 66077328) is 4-(2-amino-4-chloro-5-fluorophenoxy)-3,5-dimethylbenzamide.
What is the SMILES notation for 4-(2-amino-4-chloro-5-fluorophenoxy)-3,5-dimethylbenzamide?
The canonical SMILES for 4-(2-amino-4-chloro-5-fluorophenoxy)-3,5-dimethylbenzamide is Cc1cc(C(N)=O)cc(C)c1Oc1cc(F)c(Cl)cc1N.
What is the InChIKey of 4-(2-amino-4-chloro-5-fluorophenoxy)-3,5-dimethylbenzamide?
The InChIKey is NTUHSXZMJJJTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-7-3-9(15(19)20)4-8(2)14(7)21-13-6-11(17)10(16)5-12(13)18/h3-6H,18H2,1-2H3,(H2,19,20).
What are the key properties of 4-(2-amino-4-chloro-5-fluorophenoxy)-3,5-dimethylbenzamide?
4-(2-amino-4-chloro-5-fluorophenoxy)-3,5-dimethylbenzamide has a molecular weight of 308.74 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-4-chloro-5-fluorophenoxy)-3,5-dimethylbenzamide is sourced from PubChem (CID 66077328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).