4-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid

C13H14ClNO4 — CID 61379355

IUPAC4-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid
SMILESO=C(COc1cc(Cl)ccc1C(=O)O)NCC1CC1
InChIInChI=1S/C13H14ClNO4/c14-9-3-4-10(13(17)18)11(5-9)19-7-12(16)15-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,15,16)(H,17,18)
InChIKeyGFNRCLMKBRORPR-UHFFFAOYSA-N
MW283.71 g/mol
LogP1.94
Rot. Bonds6

About 4-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid

4-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid (PubChem CID 61379355) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is 4-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name4-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid
PubChem CID61379355
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name4-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid
SMILESO=C(COc1cc(Cl)ccc1C(=O)O)NCC1CC1
InChIInChI=1S/C13H14ClNO4/c14-9-3-4-10(13(17)18)11(5-9)19-7-12(16)15-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,15,16)(H,17,18)
InChIKeyGFNRCLMKBRORPR-UHFFFAOYSA-N
XLogP1.94
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzenesulfonyl chloride
CID 82921961
5-chloro-2-[2-(cyclohexylmethylamino)-2-oxoethoxy]benzamide
CID 9463555
4-chloro-2-(cyclohexylmethoxy)benzoic acid
CID 61379401
4-chloro-2-[3-(cyclopropylamino)-3-oxopropoxy]benzoic acid
CID 55098633
N-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-2-(2,4-dichlorophenoxy)acetamide
CID 60604909
3-amino-4-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid
CID 43379773
4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]methyl]-N,N-dimethylpiperidine-1-carboxamide
CID 126853022
5-chloro-2-(cyclopropylmethylcarbamoylamino)benzoic acid
CID 61182658
4-chloro-2-[2-(3-methylanilino)-2-oxoethoxy]benzoic acid
CID 45418777
4-chloro-2-(2,2,2-trifluoroethoxy)benzoic acid
CID 61379733
4-chloro-2-(2-methylidenebutoxy)benzoic acid
CID 66046369
2-(2,4-dichlorophenoxy)-N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]acetamide
CID 121021222

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid?
The IUPAC name of 4-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid (CID 61379355) is 4-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 4-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 4-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid is O=C(COc1cc(Cl)ccc1C(=O)O)NCC1CC1.
What is the InChIKey of 4-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid?
The InChIKey is GFNRCLMKBRORPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4/c14-9-3-4-10(13(17)18)11(5-9)19-7-12(16)15-6-8-1-2-8/h3-5,8H,1-2,6-7H2,(H,15,16)(H,17,18).
What are the key properties of 4-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid?
4-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid has a molecular weight of 283.71 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2-(cyclopropylmethylamino)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 61379355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).