3-(4-carbamoylphenyl)-N-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide

C22H20N2O4 — CID 87467946

IUPAC3-(4-carbamoylphenyl)-N-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CN(O)C(=O)c2cccc(-c3ccc(C(N)=O)cc3)c2)cc1
InChIInChI=1S/C22H20N2O4/c1-28-20-11-5-15(6-12-20)14-24(27)22(26)19-4-2-3-18(13-19)16-7-9-17(10-8-16)21(23)25/h2-13,27H,14H2,1H3,(H2,23,25)
InChIKeyQQJQIKNYRPFBPU-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.49
Rot. Bonds6

About 3-(4-carbamoylphenyl)-N-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide

3-(4-carbamoylphenyl)-N-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide (PubChem CID 87467946) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 3-(4-carbamoylphenyl)-N-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-(4-carbamoylphenyl)-N-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide
PubChem CID87467946
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name3-(4-carbamoylphenyl)-N-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide
SMILESCOc1ccc(CN(O)C(=O)c2cccc(-c3ccc(C(N)=O)cc3)c2)cc1
InChIInChI=1S/C22H20N2O4/c1-28-20-11-5-15(6-12-20)14-24(27)22(26)19-4-2-3-18(13-19)16-7-9-17(10-8-16)21(23)25/h2-13,27H,14H2,1H3,(H2,23,25)
InChIKeyQQJQIKNYRPFBPU-UHFFFAOYSA-N
XLogP3.49
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
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

3-(4-carbamoylphenyl)-N-hydroxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 87469042
4-[[4-methoxy-N-[(4-methoxyphenyl)methyl]anilino]methyl]benzamide
CID 12031517
2-N-benzyl-2-N-hydroxynaphthalene-2,6-dicarboxamide
CID 25256224
2-N-[(3,5-dimethylphenyl)methyl]-2-N-hydroxynaphthalene-2,6-dicarboxamide
CID 25256226
9-[(4-carbamoylphenyl)methyl]-7-(4-methoxyphenyl)carbazole-4-carboxamide
CID 174400022
N-[2-(4-methoxyphenyl)ethyl]-3-phenylbenzamide
CID 117087730
4-[2-(4-methoxyphenyl)-2-oxoethyl]benzamide
CID 11673420
1-hydroxy-1-[(6-methoxynaphthalen-2-yl)methyl]urea
CID 19780510
3-(4-phenylmethoxyphenyl)benzamide
CID 152538567
1-N,3-N-dibenzyl-1-N,3-N-bis(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 10144171
N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-3-[3-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-[2-oxo-2-(2-phenylethylamino)ethyl]carbamoyl]phenyl]-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 11803959
(2S)-3-[4-(3-carbamoylphenyl)phenyl]-2-[(5-methoxy-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 70652418

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoylphenyl)-N-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide?
The IUPAC name of 3-(4-carbamoylphenyl)-N-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide (CID 87467946) is 3-(4-carbamoylphenyl)-N-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-(4-carbamoylphenyl)-N-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-(4-carbamoylphenyl)-N-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide is COc1ccc(CN(O)C(=O)c2cccc(-c3ccc(C(N)=O)cc3)c2)cc1.
What is the InChIKey of 3-(4-carbamoylphenyl)-N-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide?
The InChIKey is QQJQIKNYRPFBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-28-20-11-5-15(6-12-20)14-24(27)22(26)19-4-2-3-18(13-19)16-7-9-17(10-8-16)21(23)25/h2-13,27H,14H2,1H3,(H2,23,25).
What are the key properties of 3-(4-carbamoylphenyl)-N-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide?
3-(4-carbamoylphenyl)-N-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide has a molecular weight of 376.41 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoylphenyl)-N-hydroxy-N-[(4-methoxyphenyl)methyl]benzamide is sourced from PubChem (CID 87467946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).