4-[2-(9H-carbazol-1-yloxymethyl)-3-hydroxyprop-1-enyl]-N-hydroxybenzamide

C23H20N2O4 — CID 73031267

IUPAC4-[2-(9H-carbazol-1-yloxymethyl)-3-hydroxyprop-1-enyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(C=C(CO)COc2cccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C23H20N2O4/c26-13-16(12-15-8-10-17(11-9-15)23(27)25-28)14-29-21-7-3-5-19-18-4-1-2-6-20(18)24-22(19)21/h1-12,24,26,28H,13-14H2,(H,25,27)
InChIKeyQIQFQGMZNORHPI-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.89
Rot. Bonds6

About 4-[2-(9H-carbazol-1-yloxymethyl)-3-hydroxyprop-1-enyl]-N-hydroxybenzamide

4-[2-(9H-carbazol-1-yloxymethyl)-3-hydroxyprop-1-enyl]-N-hydroxybenzamide (PubChem CID 73031267) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is 4-[2-(9H-carbazol-1-yloxymethyl)-3-hydroxyprop-1-enyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[2-(9H-carbazol-1-yloxymethyl)-3-hydroxyprop-1-enyl]-N-hydroxybenzamide
PubChem CID73031267
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name4-[2-(9H-carbazol-1-yloxymethyl)-3-hydroxyprop-1-enyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(C=C(CO)COc2cccc3c2[nH]c2ccccc23)cc1
InChIInChI=1S/C23H20N2O4/c26-13-16(12-15-8-10-17(11-9-15)23(27)25-28)14-29-21-7-3-5-19-18-4-1-2-6-20(18)24-22(19)21/h1-12,24,26,28H,13-14H2,(H,25,27)
InChIKeyQIQFQGMZNORHPI-UHFFFAOYSA-N
XLogP3.89
TPSA94.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[(Z)-2-(9H-carbazol-1-yloxymethyl)-3-oxoprop-1-enyl]benzoate
CID 87893026
methyl 4-[2-(9H-carbazol-1-yloxymethyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]benzoate
CID 143194939
N-hydroxy-4-[(E)-2-[(2-methoxyethylamino)methyl]-3-naphthalen-1-yloxyprop-1-enyl]benzamide
CID 87225914
N-hydroxy-4-[(E)-2-(naphthalen-1-yloxymethyl)-3-(quinolin-3-ylamino)prop-1-enyl]benzamide
CID 11540152
N-hydroxy-4-[2-(naphthalen-1-yloxymethyl)-3-(thiophen-2-ylmethylamino)prop-1-enyl]benzamide
CID 91528131
4-[(Z)-2-[[2-[di(propan-2-yl)amino]ethylamino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]-N-hydroxybenzamide
CID 24896815
4-[2-[[(1-cyclopropylpiperidin-4-yl)amino]methyl]-3-naphthalen-1-yloxyprop-1-enyl]-N-hydroxybenzamide
CID 74349235
N-hydroxy-4-[(Z)-4-naphthalen-1-yloxy-2-[(4-phenylanilino)methyl]but-1-enyl]benzamide
CID 11598751
N-hydroxy-4-[(E)-2-(naphthalen-1-yloxymethyl)-3-oxo-3-piperidin-1-ylprop-1-enyl]benzamide
CID 142687448
4-[(Z)-2-[(cyclopentylamino)methyl]-4-naphthalen-1-yloxybut-1-enyl]-N-hydroxybenzamide
CID 11495705
methyl 4-[(E)-2-(bromomethyl)-3-naphthalen-1-yloxyprop-1-enyl]benzoate
CID 59245026
N-hydroxy-4-[(E)-3-(1-methoxypropan-2-ylamino)-2-(naphthalen-1-yloxymethyl)-3-oxoprop-1-enyl]benzamide
CID 24898347

Frequently Asked Questions

What is the IUPAC name of 4-[2-(9H-carbazol-1-yloxymethyl)-3-hydroxyprop-1-enyl]-N-hydroxybenzamide?
The IUPAC name of 4-[2-(9H-carbazol-1-yloxymethyl)-3-hydroxyprop-1-enyl]-N-hydroxybenzamide (CID 73031267) is 4-[2-(9H-carbazol-1-yloxymethyl)-3-hydroxyprop-1-enyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[2-(9H-carbazol-1-yloxymethyl)-3-hydroxyprop-1-enyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[2-(9H-carbazol-1-yloxymethyl)-3-hydroxyprop-1-enyl]-N-hydroxybenzamide is O=C(NO)c1ccc(C=C(CO)COc2cccc3c2[nH]c2ccccc23)cc1.
What is the InChIKey of 4-[2-(9H-carbazol-1-yloxymethyl)-3-hydroxyprop-1-enyl]-N-hydroxybenzamide?
The InChIKey is QIQFQGMZNORHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c26-13-16(12-15-8-10-17(11-9-15)23(27)25-28)14-29-21-7-3-5-19-18-4-1-2-6-20(18)24-22(19)21/h1-12,24,26,28H,13-14H2,(H,25,27).
What are the key properties of 4-[2-(9H-carbazol-1-yloxymethyl)-3-hydroxyprop-1-enyl]-N-hydroxybenzamide?
4-[2-(9H-carbazol-1-yloxymethyl)-3-hydroxyprop-1-enyl]-N-hydroxybenzamide has a molecular weight of 388.42 g/mol, XLogP of 3.89, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(9H-carbazol-1-yloxymethyl)-3-hydroxyprop-1-enyl]-N-hydroxybenzamide is sourced from PubChem (CID 73031267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).