4-[3-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide

C24H23BrN2O5 — CID 44517057

IUPAC4-[3-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide
SMILESCOc1cc(CCC(=O)Nc2ccc(C(=O)NO)cc2)ccc1OCc1ccccc1Br
InChIInChI=1S/C24H23BrN2O5/c1-31-22-14-16(6-12-21(22)32-15-18-4-2-3-5-20(18)25)7-13-23(28)26-19-10-8-17(9-11-19)24(29)27-30/h2-6,8-12,14,30H,7,13,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyLECUQTVUYWNNBS-UHFFFAOYSA-N
MW499.36 g/mol
LogP4.73
Rot. Bonds9

About 4-[3-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide

4-[3-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide (PubChem CID 44517057) has the molecular formula C24H23BrN2O5 and a molecular weight of 499.36 g/mol. Its IUPAC name is 4-[3-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[3-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide
PubChem CID44517057
Molecular FormulaC24H23BrN2O5
Molecular Weight499.36 g/mol
Exact Mass498.08
IUPAC Name4-[3-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide
SMILESCOc1cc(CCC(=O)Nc2ccc(C(=O)NO)cc2)ccc1OCc1ccccc1Br
InChIInChI=1S/C24H23BrN2O5/c1-31-22-14-16(6-12-21(22)32-15-18-4-2-3-5-20(18)25)7-13-23(28)26-19-10-8-17(9-11-19)24(29)27-30/h2-6,8-12,14,30H,7,13,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyLECUQTVUYWNNBS-UHFFFAOYSA-N
XLogP4.73
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.36
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

(E)-4-(3-(3,4-dimethoxyphenyl)acrylamido)benzamide
CID 717538
4-{[3-(4-Ethoxy-3-methoxyphenyl)acryloyl]amino}benzamide
CID 719549
4-({5-bromo-4-[(1Z)-2-cyano-3-oxo-3-(phenylamino)prop-1-en-1-yl]-2-methoxyphenoxy}methyl)benzoic acid
CID 1922183
4-[(5-Bromo-4-{2-cyano-3-[(4-methoxyphenyl)amino]-3-oxo-1-propen-1-yl}-2-methoxyphenoxy)methyl]benzoic acid
CID 2213400
3-[[(E)-3-[4-[(4-bromophenyl)methoxy]-3-ethoxyphenyl]-2-cyanoprop-2-enoyl]amino]benzoic acid
CID 2354598
2-bromo-N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]benzamide
CID 4282811
4-[3-[4-[(3-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide
CID 44517058
4-[3-[4-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide
CID 44517391
2-bromo-N-[4-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]phenyl]prop-2-enamide
CID 44592477
2-bromo-N-[4-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]phenyl]prop-2-enamide
CID 44592478
N-hydroxy-4-[3-(3-methoxy-4-phenylmethoxyphenyl)propanoylamino]benzamide
CID 45485345
(E)-3-[4-[2-(4-bromoanilino)-2-oxoethoxy]-3-methoxyphenyl]-N-hydroxyprop-2-enamide
CID 72697866

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide?
The IUPAC name of 4-[3-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide (CID 44517057) is 4-[3-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide.
What is the SMILES notation for 4-[3-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide?
The canonical SMILES for 4-[3-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide is COc1cc(CCC(=O)Nc2ccc(C(=O)NO)cc2)ccc1OCc1ccccc1Br.
What is the InChIKey of 4-[3-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide?
The InChIKey is LECUQTVUYWNNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23BrN2O5/c1-31-22-14-16(6-12-21(22)32-15-18-4-2-3-5-20(18)25)7-13-23(28)26-19-10-8-17(9-11-19)24(29)27-30/h2-6,8-12,14,30H,7,13,15H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 4-[3-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide?
4-[3-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide has a molecular weight of 499.36 g/mol, XLogP of 4.73, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-[(2-bromophenyl)methoxy]-3-methoxyphenyl]propanoylamino]-N-hydroxybenzamide is sourced from PubChem (CID 44517057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).