[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate

C18H18ClNO5 — CID 55324979

IUPAC[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NC(C)c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C18H18ClNO5/c1-11(12-3-5-13(19)6-4-12)20-17(22)10-25-18(23)15-8-7-14(24-2)9-16(15)21/h3-9,11,21H,10H2,1-2H3,(H,20,22)
InChIKeyYOHBHLRXBFAQFM-UHFFFAOYSA-N
MW363.80 g/mol
LogP3.09
Rot. Bonds6

About [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate

[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate (PubChem CID 55324979) has the molecular formula C18H18ClNO5 and a molecular weight of 363.80 g/mol. Its IUPAC name is [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate.

Molecular Properties

Compound Name[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
PubChem CID55324979
Molecular FormulaC18H18ClNO5
Molecular Weight363.80 g/mol
Exact Mass363.09
IUPAC Name[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NC(C)c2ccc(Cl)cc2)c(O)c1
InChIInChI=1S/C18H18ClNO5/c1-11(12-3-5-13(19)6-4-12)20-17(22)10-25-18(23)15-8-7-14(24-2)9-16(15)21/h3-9,11,21H,10H2,1-2H3,(H,20,22)
InChIKeyYOHBHLRXBFAQFM-UHFFFAOYSA-N
XLogP3.09
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 7726595
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891534
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-dichlorobenzoate
CID 7873156
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7772041
[2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7772045
2-O-[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56506418
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-difluorobenzoate
CID 7764132
[2-[[(2R)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
CID 9406247
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2,4-dimethoxybenzoate
CID 2505113
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-hydroxy-4-methoxybenzoate
CID 18201495
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 7414531
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(7-methoxynaphthalen-2-yl)oxyacetamide
CID 7652877

Frequently Asked Questions

What is the IUPAC name of [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate?
The IUPAC name of [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate (CID 55324979) is [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate.
What is the SMILES notation for [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate?
The canonical SMILES for [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)NC(C)c2ccc(Cl)cc2)c(O)c1.
What is the InChIKey of [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate?
The InChIKey is YOHBHLRXBFAQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO5/c1-11(12-3-5-13(19)6-4-12)20-17(22)10-25-18(23)15-8-7-14(24-2)9-16(15)21/h3-9,11,21H,10H2,1-2H3,(H,20,22).
What are the key properties of [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate?
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate has a molecular weight of 363.80 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-hydroxy-4-methoxybenzoate is sourced from PubChem (CID 55324979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).