2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]carbamoyl]benzoic acid

C17H16ClNO5 — CID 2915954

IUPAC2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCC(O)COc1ccccc1Cl
InChIInChI=1S/C17H16ClNO5/c18-14-7-3-4-8-15(14)24-10-11(20)9-19-16(21)12-5-1-2-6-13(12)17(22)23/h1-8,11,20H,9-10H2,(H,19,21)(H,22,23)
InChIKeyXFOSKMWCORSXRC-UHFFFAOYSA-N
MW349.77 g/mol
LogP2.21
Rot. Bonds7

About 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]carbamoyl]benzoic acid

2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]carbamoyl]benzoic acid (PubChem CID 2915954) has the molecular formula C17H16ClNO5 and a molecular weight of 349.77 g/mol. Its IUPAC name is 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]carbamoyl]benzoic acid
PubChem CID2915954
Molecular FormulaC17H16ClNO5
Molecular Weight349.77 g/mol
Exact Mass349.07
IUPAC Name2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]carbamoyl]benzoic acid
SMILESO=C(O)c1ccccc1C(=O)NCC(O)COc1ccccc1Cl
InChIInChI=1S/C17H16ClNO5/c18-14-7-3-4-8-15(14)24-10-11(20)9-19-16(21)12-5-1-2-6-13(12)17(22)23/h1-8,11,20H,9-10H2,(H,19,21)(H,22,23)
InChIKeyXFOSKMWCORSXRC-UHFFFAOYSA-N
XLogP2.21
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.77
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid
CID 2812098
N-[2-hydroxy-3-(2-methylphenoxy)propyl]-2-methylbenzamide
CID 84562345
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]amino]ethylurea
CID 83121783
[3-[[2-(carboxymethoxy)benzoyl]amino]-2-hydroxypropyl]mercury;hydrate
CID 25199594
2-[(2-hydroxy-4-methylpentyl)carbamoyl]benzoic acid
CID 107151224
N-[(2S)-3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-2-chlorobenzamide
CID 94799470
2-[(2-carboxy-2-hydroxyethyl)carbamoyl]benzoic acid
CID 151828721
1-(2-chlorophenoxy)-3-(2-methoxyanilino)propan-2-ol
CID 60898981
4-chloro-N-[2-hydroxy-3-(2-methylphenoxy)propyl]benzamide
CID 84567072
4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide
CID 7324383
(2R)-1-(2-chlorophenoxy)-3-[(5-chloro-2-pyridinyl)amino]propan-2-ol
CID 51699355
1-[(2R)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-ethylurea
CID 94199882

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]carbamoyl]benzoic acid?
The IUPAC name of 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]carbamoyl]benzoic acid (CID 2915954) is 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]carbamoyl]benzoic acid.
What is the SMILES notation for 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]carbamoyl]benzoic acid?
The canonical SMILES for 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]carbamoyl]benzoic acid is O=C(O)c1ccccc1C(=O)NCC(O)COc1ccccc1Cl.
What is the InChIKey of 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]carbamoyl]benzoic acid?
The InChIKey is XFOSKMWCORSXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO5/c18-14-7-3-4-8-15(14)24-10-11(20)9-19-16(21)12-5-1-2-6-13(12)17(22)23/h1-8,11,20H,9-10H2,(H,19,21)(H,22,23).
What are the key properties of 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]carbamoyl]benzoic acid?
2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]carbamoyl]benzoic acid has a molecular weight of 349.77 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-chlorophenoxy)-2-hydroxypropyl]carbamoyl]benzoic acid is sourced from PubChem (CID 2915954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).