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

C14H13ClN2O2 — CID 70625641

IUPACN-[2-amino-4-(4-chlorophenoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1N
InChIInChI=1S/C14H13ClN2O2/c1-9(18)17-14-7-6-12(8-13(14)16)19-11-4-2-10(15)3-5-11/h2-8H,16H2,1H3,(H,17,18)
InChIKeyXPBHWCIWSOCMOO-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.67
Rot. Bonds3

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

N-[2-amino-4-(4-chlorophenoxy)phenyl]acetamide (PubChem CID 70625641) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is N-[2-amino-4-(4-chlorophenoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-amino-4-(4-chlorophenoxy)phenyl]acetamide
PubChem CID70625641
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC NameN-[2-amino-4-(4-chlorophenoxy)phenyl]acetamide
SMILESCC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1N
InChIInChI=1S/C14H13ClN2O2/c1-9(18)17-14-7-6-12(8-13(14)16)19-11-4-2-10(15)3-5-11/h2-8H,16H2,1H3,(H,17,18)
InChIKeyXPBHWCIWSOCMOO-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

N-[2-amino-4-(trifluoromethoxy)phenyl]acetamide
CID 14836859
5-(4-chlorophenoxy)-2-methylaniline
CID 91301479
(3,5-dichlorophenyl) 4-acetamido-3-aminobenzenesulfonate
CID 88792568
2-amino-4-(4-chlorophenoxy)-N-methylbenzenesulfonamide
CID 80646384
N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride
CID 17385562
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519
1-[2-chloro-4-(4-chlorophenoxy)phenyl]ethanone
CID 677479
2-nitro-4-phenoxyaniline;N-(2-nitro-4-phenoxyphenyl)acetamide
CID 158109560
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
N-(2-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 29274206
N-(4-chloro-2-methoxyphenyl)acetamide
CID 593884
N-[4-(4-chlorophenoxy)phenyl]-2-methylprop-2-enamide
CID 139520073

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(4-chlorophenoxy)phenyl]acetamide?
The IUPAC name of N-[2-amino-4-(4-chlorophenoxy)phenyl]acetamide (CID 70625641) is N-[2-amino-4-(4-chlorophenoxy)phenyl]acetamide.
What is the SMILES notation for N-[2-amino-4-(4-chlorophenoxy)phenyl]acetamide?
The canonical SMILES for N-[2-amino-4-(4-chlorophenoxy)phenyl]acetamide is CC(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1N.
What is the InChIKey of N-[2-amino-4-(4-chlorophenoxy)phenyl]acetamide?
The InChIKey is XPBHWCIWSOCMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c1-9(18)17-14-7-6-12(8-13(14)16)19-11-4-2-10(15)3-5-11/h2-8H,16H2,1H3,(H,17,18).
What are the key properties of N-[2-amino-4-(4-chlorophenoxy)phenyl]acetamide?
N-[2-amino-4-(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-[2-amino-4-(4-chlorophenoxy)phenyl]acetamide is sourced from PubChem (CID 70625641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).