4-(2,3-dihydroxypropylamino)-N-(2-phenoxyphenyl)benzamide

C22H22N2O4 — CID 168597138

IUPAC4-(2,3-dihydroxypropylamino)-N-(2-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1ccc(NCC(O)CO)cc1
InChIInChI=1S/C22H22N2O4/c25-15-18(26)14-23-17-12-10-16(11-13-17)22(27)24-20-8-4-5-9-21(20)28-19-6-2-1-3-7-19/h1-13,18,23,25-26H,14-15H2,(H,24,27)
InChIKeyJFEOIEWLHHCUJS-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.50
Rot. Bonds8

About 4-(2,3-dihydroxypropylamino)-N-(2-phenoxyphenyl)benzamide

4-(2,3-dihydroxypropylamino)-N-(2-phenoxyphenyl)benzamide (PubChem CID 168597138) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-(2,3-dihydroxypropylamino)-N-(2-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(2,3-dihydroxypropylamino)-N-(2-phenoxyphenyl)benzamide
PubChem CID168597138
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name4-(2,3-dihydroxypropylamino)-N-(2-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1ccc(NCC(O)CO)cc1
InChIInChI=1S/C22H22N2O4/c25-15-18(26)14-23-17-12-10-16(11-13-17)22(27)24-20-8-4-5-9-21(20)28-19-6-2-1-3-7-19/h1-13,18,23,25-26H,14-15H2,(H,24,27)
InChIKeyJFEOIEWLHHCUJS-UHFFFAOYSA-N
XLogP3.50
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-(2-phenoxyphenyl)benzamide
CID 903986
4-[4-(2,3-dihydroxypropylamino)phenoxy]benzoic acid
CID 168594183
4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-phenoxyphenyl)benzamide
CID 168560288
1-N-(2-methoxyethyl)-4-N-(2-phenoxyphenyl)benzene-1,4-dicarboxamide
CID 109045227
4-methylsulfonyl-N-(2-phenoxyphenyl)benzamide
CID 7267210
4-(acetamidomethyl)-N-(2-phenoxyphenyl)benzamide
CID 17417945
3,4-dihydroxy-N-(2-phenoxyphenyl)benzamide
CID 113199337
4-isocyanato-N-(2-phenoxyphenyl)benzamide
CID 169353101
4-acetamido-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 26243690
N-[4-[2-oxo-2-(2-phenoxyanilino)ethoxy]phenyl]benzamide
CID 4783939
2-(4-ethylanilino)-N-(2-phenoxyphenyl)acetamide
CID 109007685
3-[4-(1-phenylethenyl)anilino]propane-1,2-diol
CID 168594472

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroxypropylamino)-N-(2-phenoxyphenyl)benzamide?
The IUPAC name of 4-(2,3-dihydroxypropylamino)-N-(2-phenoxyphenyl)benzamide (CID 168597138) is 4-(2,3-dihydroxypropylamino)-N-(2-phenoxyphenyl)benzamide.
What is the SMILES notation for 4-(2,3-dihydroxypropylamino)-N-(2-phenoxyphenyl)benzamide?
The canonical SMILES for 4-(2,3-dihydroxypropylamino)-N-(2-phenoxyphenyl)benzamide is O=C(Nc1ccccc1Oc1ccccc1)c1ccc(NCC(O)CO)cc1.
What is the InChIKey of 4-(2,3-dihydroxypropylamino)-N-(2-phenoxyphenyl)benzamide?
The InChIKey is JFEOIEWLHHCUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c25-15-18(26)14-23-17-12-10-16(11-13-17)22(27)24-20-8-4-5-9-21(20)28-19-6-2-1-3-7-19/h1-13,18,23,25-26H,14-15H2,(H,24,27).
What are the key properties of 4-(2,3-dihydroxypropylamino)-N-(2-phenoxyphenyl)benzamide?
4-(2,3-dihydroxypropylamino)-N-(2-phenoxyphenyl)benzamide has a molecular weight of 378.43 g/mol, XLogP of 3.50, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroxypropylamino)-N-(2-phenoxyphenyl)benzamide is sourced from PubChem (CID 168597138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).