4-[2-(carbamoylamino)-2-oxoethoxy]-3-chloro-5-methoxybenzoic acid

C11H11ClN2O6 — CID 28898007

IUPAC4-[2-(carbamoylamino)-2-oxoethoxy]-3-chloro-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(Cl)c1OCC(=O)NC(N)=O
InChIInChI=1S/C11H11ClN2O6/c1-19-7-3-5(10(16)17)2-6(12)9(7)20-4-8(15)14-11(13)18/h2-3H,4H2,1H3,(H,16,17)(H3,13,14,15,18)
InChIKeyOJWWJRPSMQSRRZ-UHFFFAOYSA-N
MW302.67 g/mol
LogP0.62
Rot. Bonds5

About 4-[2-(carbamoylamino)-2-oxoethoxy]-3-chloro-5-methoxybenzoic acid

4-[2-(carbamoylamino)-2-oxoethoxy]-3-chloro-5-methoxybenzoic acid (PubChem CID 28898007) has the molecular formula C11H11ClN2O6 and a molecular weight of 302.67 g/mol. Its IUPAC name is 4-[2-(carbamoylamino)-2-oxoethoxy]-3-chloro-5-methoxybenzoic acid.

Molecular Properties

Compound Name4-[2-(carbamoylamino)-2-oxoethoxy]-3-chloro-5-methoxybenzoic acid
PubChem CID28898007
Molecular FormulaC11H11ClN2O6
Molecular Weight302.67 g/mol
Exact Mass302.03
IUPAC Name4-[2-(carbamoylamino)-2-oxoethoxy]-3-chloro-5-methoxybenzoic acid
SMILESCOc1cc(C(=O)O)cc(Cl)c1OCC(=O)NC(N)=O
InChIInChI=1S/C11H11ClN2O6/c1-19-7-3-5(10(16)17)2-6(12)9(7)20-4-8(15)14-11(13)18/h2-3H,4H2,1H3,(H,16,17)(H3,13,14,15,18)
InChIKeyOJWWJRPSMQSRRZ-UHFFFAOYSA-N
XLogP0.62
TPSA127.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.67
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(aminomethyl)-2-chloro-6-methoxyphenoxy]-N-carbamoylacetamide
CID 28966876
4-[2-(tert-butylamino)-2-oxoethoxy]-3-chloro-5-methoxybenzoic acid
CID 28898119
4-[2-(butan-2-ylamino)-2-oxoethoxy]-3-chloro-5-methoxybenzoic acid
CID 43114925
3-chloro-5-methoxy-4-[2-(2-methoxyethylamino)-2-oxoethoxy]benzoic acid
CID 61487582
3-chloro-4-[2-(2-cyanoethylamino)-2-oxoethoxy]-5-methoxybenzoic acid
CID 28898071
2-(4-amino-2,6-dichlorophenoxy)-N-carbamoylacetamide
CID 43169631
3-chloro-4-(cyanomethoxy)-5-methoxybenzoic acid
CID 28898022
4-(3-amino-2,2-dimethylpropoxy)-3-chloro-5-methoxybenzoic acid
CID 117053248
N-(2-amino-2-methylpropyl)-4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzamide;hydrochloride
CID 119629178
3-chloro-4-(ethoxymethoxy)-5-methoxybenzoic acid
CID 65369806
3-chloro-4-(2-hydroxyacetyl)oxy-5-methoxybenzoic acid
CID 117053258
3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 8706920

Frequently Asked Questions

What is the IUPAC name of 4-[2-(carbamoylamino)-2-oxoethoxy]-3-chloro-5-methoxybenzoic acid?
The IUPAC name of 4-[2-(carbamoylamino)-2-oxoethoxy]-3-chloro-5-methoxybenzoic acid (CID 28898007) is 4-[2-(carbamoylamino)-2-oxoethoxy]-3-chloro-5-methoxybenzoic acid.
What is the SMILES notation for 4-[2-(carbamoylamino)-2-oxoethoxy]-3-chloro-5-methoxybenzoic acid?
The canonical SMILES for 4-[2-(carbamoylamino)-2-oxoethoxy]-3-chloro-5-methoxybenzoic acid is COc1cc(C(=O)O)cc(Cl)c1OCC(=O)NC(N)=O.
What is the InChIKey of 4-[2-(carbamoylamino)-2-oxoethoxy]-3-chloro-5-methoxybenzoic acid?
The InChIKey is OJWWJRPSMQSRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O6/c1-19-7-3-5(10(16)17)2-6(12)9(7)20-4-8(15)14-11(13)18/h2-3H,4H2,1H3,(H,16,17)(H3,13,14,15,18).
What are the key properties of 4-[2-(carbamoylamino)-2-oxoethoxy]-3-chloro-5-methoxybenzoic acid?
4-[2-(carbamoylamino)-2-oxoethoxy]-3-chloro-5-methoxybenzoic acid has a molecular weight of 302.67 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(carbamoylamino)-2-oxoethoxy]-3-chloro-5-methoxybenzoic acid is sourced from PubChem (CID 28898007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).