(N-(3-chlorophenyl)-4-methoxyanilino) acetate

C15H14ClNO3 — CID 175350374

IUPAC(N-(3-chlorophenyl)-4-methoxyanilino) acetate
SMILESCOc1ccc(N(OC(C)=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H14ClNO3/c1-11(18)20-17(14-5-3-4-12(16)10-14)13-6-8-15(19-2)9-7-13/h3-10H,1-2H3
InChIKeyYQOLMQHNRHGIHD-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.96
Rot. Bonds4

About (N-(3-chlorophenyl)-4-methoxyanilino) acetate

(N-(3-chlorophenyl)-4-methoxyanilino) acetate (PubChem CID 175350374) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is (N-(3-chlorophenyl)-4-methoxyanilino) acetate.

Molecular Properties

Compound Name(N-(3-chlorophenyl)-4-methoxyanilino) acetate
PubChem CID175350374
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name(N-(3-chlorophenyl)-4-methoxyanilino) acetate
SMILESCOc1ccc(N(OC(C)=O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C15H14ClNO3/c1-11(18)20-17(14-5-3-4-12(16)10-14)13-6-8-15(19-2)9-7-13/h3-10H,1-2H3
InChIKeyYQOLMQHNRHGIHD-UHFFFAOYSA-N
XLogP3.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(4-methoxy-N-(4-methoxyphenyl)anilino) acetate
CID 175095203
(4-methoxy-N-thiophen-2-ylanilino) acetate
CID 175099311
(N-benzoyl-3-chloroanilino) acetate
CID 132609379
3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide
CID 113127294
methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate
CID 27014139
N-(3-chlorophenyl)-N-hydroxyacetamide
CID 13158205
N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-4-methoxybenzamide
CID 40505453
1-(3-chlorophenyl)-3-(4-methoxyphenyl)urea
CID 727874
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide
CID 126126072
N-(3-chlorophenyl)-4-methoxy-N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide
CID 1318370
3-(3-chloro-N-methylsulfonylanilino)-N-(4-methoxyphenyl)propanamide
CID 113143839
[4-methoxy-N-(2-oxopropoxy)anilino] acetate
CID 163606382

Frequently Asked Questions

What is the IUPAC name of (N-(3-chlorophenyl)-4-methoxyanilino) acetate?
The IUPAC name of (N-(3-chlorophenyl)-4-methoxyanilino) acetate (CID 175350374) is (N-(3-chlorophenyl)-4-methoxyanilino) acetate.
What is the SMILES notation for (N-(3-chlorophenyl)-4-methoxyanilino) acetate?
The canonical SMILES for (N-(3-chlorophenyl)-4-methoxyanilino) acetate is COc1ccc(N(OC(C)=O)c2cccc(Cl)c2)cc1.
What is the InChIKey of (N-(3-chlorophenyl)-4-methoxyanilino) acetate?
The InChIKey is YQOLMQHNRHGIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-11(18)20-17(14-5-3-4-12(16)10-14)13-6-8-15(19-2)9-7-13/h3-10H,1-2H3.
What are the key properties of (N-(3-chlorophenyl)-4-methoxyanilino) acetate?
(N-(3-chlorophenyl)-4-methoxyanilino) acetate has a molecular weight of 291.73 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (N-(3-chlorophenyl)-4-methoxyanilino) acetate is sourced from PubChem (CID 175350374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).