N-(4-aminophenyl)-2-[(3-chlorophenyl)methoxy]-N-methylacetamide

C16H17ClN2O2 — CID 65125098

IUPACN-(4-aminophenyl)-2-[(3-chlorophenyl)methoxy]-N-methylacetamide
SMILESCN(C(=O)COCc1cccc(Cl)c1)c1ccc(N)cc1
InChIInChI=1S/C16H17ClN2O2/c1-19(15-7-5-14(18)6-8-15)16(20)11-21-10-12-3-2-4-13(17)9-12/h2-9H,10-11,18H2,1H3
InChIKeyNYPUNMHELIPKFF-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.10
Rot. Bonds5

About N-(4-aminophenyl)-2-[(3-chlorophenyl)methoxy]-N-methylacetamide

N-(4-aminophenyl)-2-[(3-chlorophenyl)methoxy]-N-methylacetamide (PubChem CID 65125098) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-[(3-chlorophenyl)methoxy]-N-methylacetamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-[(3-chlorophenyl)methoxy]-N-methylacetamide
PubChem CID65125098
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-(4-aminophenyl)-2-[(3-chlorophenyl)methoxy]-N-methylacetamide
SMILESCN(C(=O)COCc1cccc(Cl)c1)c1ccc(N)cc1
InChIInChI=1S/C16H17ClN2O2/c1-19(15-7-5-14(18)6-8-15)16(20)11-21-10-12-3-2-4-13(17)9-12/h2-9H,10-11,18H2,1H3
InChIKeyNYPUNMHELIPKFF-UHFFFAOYSA-N
XLogP3.10
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminophenyl)-2-(3,5-dichlorophenoxy)-N-methylacetamide
CID 43621859
N-(4-aminophenyl)-2-(3-hydroxyphenyl)-N-methylacetamide
CID 61399690
4-N-[(3-chlorophenyl)methyl]-4-N-methylbenzene-1,4-diamine
CID 28895019
N-(4-aminophenyl)-2-(3-chloro-4-fluorophenoxy)-N-methylacetamide
CID 63880193
[2-(4-fluoro-N-methylanilino)-2-oxoethyl] 3-chlorobenzoate
CID 46860340
(3-chlorophenyl)methyl N-(4-aminophenyl)carbamate
CID 65126577
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
2-[(3-chlorophenyl)methoxy]-N'-hydroxyethanimidamide
CID 77056910
N-[4-(aminomethyl)phenyl]-2-ethoxy-N-methylacetamide
CID 43275430
(3-chlorophenyl)methyl 2-methoxyacetate
CID 142607419
2-[(3-chlorophenyl)methoxy]-1-(furan-2-yl)ethanone
CID 65126472
(3-chlorophenyl)methyl 4-amino-1-ethylpyrrole-2-carboxylate
CID 61315287

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-[(3-chlorophenyl)methoxy]-N-methylacetamide?
The IUPAC name of N-(4-aminophenyl)-2-[(3-chlorophenyl)methoxy]-N-methylacetamide (CID 65125098) is N-(4-aminophenyl)-2-[(3-chlorophenyl)methoxy]-N-methylacetamide.
What is the SMILES notation for N-(4-aminophenyl)-2-[(3-chlorophenyl)methoxy]-N-methylacetamide?
The canonical SMILES for N-(4-aminophenyl)-2-[(3-chlorophenyl)methoxy]-N-methylacetamide is CN(C(=O)COCc1cccc(Cl)c1)c1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-[(3-chlorophenyl)methoxy]-N-methylacetamide?
The InChIKey is NYPUNMHELIPKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-19(15-7-5-14(18)6-8-15)16(20)11-21-10-12-3-2-4-13(17)9-12/h2-9H,10-11,18H2,1H3.
What are the key properties of N-(4-aminophenyl)-2-[(3-chlorophenyl)methoxy]-N-methylacetamide?
N-(4-aminophenyl)-2-[(3-chlorophenyl)methoxy]-N-methylacetamide has a molecular weight of 304.78 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-[(3-chlorophenyl)methoxy]-N-methylacetamide is sourced from PubChem (CID 65125098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).