(1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)methoxy]benzoate

C17H16ClNO4 — CID 5032456

IUPAC(1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)methoxy]benzoate
SMILESCC(OC(=O)c1ccccc1OCc1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C17H16ClNO4/c1-11(16(19)20)23-17(21)14-4-2-3-5-15(14)22-10-12-6-8-13(18)9-7-12/h2-9,11H,10H2,1H3,(H2,19,20)
InChIKeyURYZXMXAKDFCBZ-UHFFFAOYSA-N
MW333.77 g/mol
LogP2.95
Rot. Bonds6

About (1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)methoxy]benzoate

(1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)methoxy]benzoate (PubChem CID 5032456) has the molecular formula C17H16ClNO4 and a molecular weight of 333.77 g/mol. Its IUPAC name is (1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)methoxy]benzoate.

Molecular Properties

Compound Name(1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)methoxy]benzoate
PubChem CID5032456
Molecular FormulaC17H16ClNO4
Molecular Weight333.77 g/mol
Exact Mass333.08
IUPAC Name(1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)methoxy]benzoate
SMILESCC(OC(=O)c1ccccc1OCc1ccc(Cl)cc1)C(N)=O
InChIInChI=1S/C17H16ClNO4/c1-11(16(19)20)23-17(21)14-4-2-3-5-15(14)22-10-12-6-8-13(18)9-7-12/h2-9,11H,10H2,1H3,(H2,19,20)
InChIKeyURYZXMXAKDFCBZ-UHFFFAOYSA-N
XLogP2.95
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.77
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Amino-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate
CID 2391541
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-[(4-chlorophenyl)methoxy]benzoate
CID 3704430
2-[2-(4-Chlorophenyl)-2-oxoethoxy]benzamide
CID 1478107
[2-[2-[[2-(5-Chloro-2-methoxybenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 24677734
(2-Amino-2-oxoethyl) 2-phenylmethoxybenzoate
CID 2380056
(2-Morpholin-4-yl-2-oxoethyl) 2-[(4-chlorophenyl)methoxy]benzoate
CID 2433973
(2-Morpholin-4-yl-2-oxoethyl) 2-[(2-chlorophenyl)methoxy]benzoate
CID 2434745
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-[(2-chlorophenyl)methoxy]benzoate
CID 4306106
[2-[2-[2-(4-Chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-hydroxy-4-methylbenzoate
CID 7567613
2-Amino-2-oxoethyl 2-(acetyloxy)benzoate
CID 15616247
Salicylic acid, 2-(2-(p-chlorophenoxy)-2,2-dimethylacetoxy)ethyl ester, acetate
CID 3047348
[2-(Tert-butylamino)-2-oxoethyl] 2-phenoxybenzoate
CID 2454191

Frequently Asked Questions

What is the IUPAC name of (1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)methoxy]benzoate?
The IUPAC name of (1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)methoxy]benzoate (CID 5032456) is (1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)methoxy]benzoate.
What is the SMILES notation for (1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)methoxy]benzoate?
The canonical SMILES for (1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)methoxy]benzoate is CC(OC(=O)c1ccccc1OCc1ccc(Cl)cc1)C(N)=O.
What is the InChIKey of (1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)methoxy]benzoate?
The InChIKey is URYZXMXAKDFCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO4/c1-11(16(19)20)23-17(21)14-4-2-3-5-15(14)22-10-12-6-8-13(18)9-7-12/h2-9,11H,10H2,1H3,(H2,19,20).
What are the key properties of (1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)methoxy]benzoate?
(1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)methoxy]benzoate has a molecular weight of 333.77 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-1-oxopropan-2-yl) 2-[(4-chlorophenyl)methoxy]benzoate is sourced from PubChem (CID 5032456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).