N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide

C15H14ClFN2O2 — CID 29036010

IUPACN-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C15H14ClFN2O2/c1-9-6-10(16)2-5-14(9)21-8-15(20)19-11-3-4-12(17)13(18)7-11/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyCCPMLPHRANCJJC-UHFFFAOYSA-N
MW308.74 g/mol
LogP3.39
Rot. Bonds4

About N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide

N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide (PubChem CID 29036010) has the molecular formula C15H14ClFN2O2 and a molecular weight of 308.74 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
PubChem CID29036010
Molecular FormulaC15H14ClFN2O2
Molecular Weight308.74 g/mol
Exact Mass308.07
IUPAC NameN-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C15H14ClFN2O2/c1-9-6-10(16)2-5-14(9)21-8-15(20)19-11-3-4-12(17)13(18)7-11/h2-7H,8,18H2,1H3,(H,19,20)
InChIKeyCCPMLPHRANCJJC-UHFFFAOYSA-N
XLogP3.39
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 53.39
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

N-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 50878679
N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 16789348
N-(2-amino-4-chlorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29045302
[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 8021076
N-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 800993
2-chloro-4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide
CID 55611309
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 8709029
N-(3-amino-4-methylphenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 43376403
2-(4-chloro-2-methylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide
CID 5119772
2-(4-chloro-2-methylphenoxy)-N-(2,4-difluorophenyl)acetamide
CID 3945608
ethyl 2-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenoxy]acetate
CID 39269639
2-(2-amino-4-chlorophenoxy)-N-(3-methylphenyl)acetamide
CID 24695483

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide (CID 29036010) is N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide is Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide?
The InChIKey is CCPMLPHRANCJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O2/c1-9-6-10(16)2-5-14(9)21-8-15(20)19-11-3-4-12(17)13(18)7-11/h2-7H,8,18H2,1H3,(H,19,20).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide?
N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide has a molecular weight of 308.74 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide is sourced from PubChem (CID 29036010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).