N-[3-(2-amino-4-chlorophenoxy)phenyl]acetamide

C14H13ClN2O2 — CID 26189302

IUPACN-[3-(2-amino-4-chlorophenoxy)phenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2ccc(Cl)cc2N)c1
InChIInChI=1S/C14H13ClN2O2/c1-9(18)17-11-3-2-4-12(8-11)19-14-6-5-10(15)7-13(14)16/h2-8H,16H2,1H3,(H,17,18)
InChIKeySMNJRABXVYTNMC-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.67
Rot. Bonds3

About N-[3-(2-amino-4-chlorophenoxy)phenyl]acetamide

N-[3-(2-amino-4-chlorophenoxy)phenyl]acetamide (PubChem CID 26189302) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is N-[3-(2-amino-4-chlorophenoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-(2-amino-4-chlorophenoxy)phenyl]acetamide
PubChem CID26189302
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC NameN-[3-(2-amino-4-chlorophenoxy)phenyl]acetamide
SMILESCC(=O)Nc1cccc(Oc2ccc(Cl)cc2N)c1
InChIInChI=1S/C14H13ClN2O2/c1-9(18)17-11-3-2-4-12(8-11)19-14-6-5-10(15)7-13(14)16/h2-8H,16H2,1H3,(H,17,18)
InChIKeySMNJRABXVYTNMC-UHFFFAOYSA-N
XLogP3.67
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.67
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

methyl 3-(2-amino-4-chlorophenoxy)benzoate
CID 26189305
1-[3-amino-4-(3-chlorophenoxy)phenyl]ethanone
CID 82133162
2-(3-tert-butylphenoxy)-5-chloroaniline
CID 26189308
5-chloro-2-(3-methylsulfonylphenoxy)aniline
CID 43806849
5-chloro-2-(3-iodophenoxy)aniline
CID 43144795
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
3-(2-amino-4-chlorophenoxy)-2-chlorobenzoic acid
CID 125468152
(2S)-2-(3-acetamidophenoxy)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 7698294
2-(2-amino-4-chlorophenoxy)-N-(3-methylphenyl)acetamide
CID 24695483
N-[4-(2-aminophenoxy)phenyl]acetamide
CID 101461419
N-(3-naphthalen-2-yloxyphenyl)acetamide
CID 71156920
1-[3-(2-aminophenoxy)phenyl]ethanone
CID 154186967

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-4-chlorophenoxy)phenyl]acetamide?
The IUPAC name of N-[3-(2-amino-4-chlorophenoxy)phenyl]acetamide (CID 26189302) is N-[3-(2-amino-4-chlorophenoxy)phenyl]acetamide.
What is the SMILES notation for N-[3-(2-amino-4-chlorophenoxy)phenyl]acetamide?
The canonical SMILES for N-[3-(2-amino-4-chlorophenoxy)phenyl]acetamide is CC(=O)Nc1cccc(Oc2ccc(Cl)cc2N)c1.
What is the InChIKey of N-[3-(2-amino-4-chlorophenoxy)phenyl]acetamide?
The InChIKey is SMNJRABXVYTNMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9(18)17-11-3-2-4-12(8-11)19-14-6-5-10(15)7-13(14)16/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of N-[3-(2-amino-4-chlorophenoxy)phenyl]acetamide?
N-[3-(2-amino-4-chlorophenoxy)phenyl]acetamide has a molecular weight of 276.72 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-4-chlorophenoxy)phenyl]acetamide is sourced from PubChem (CID 26189302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).