N-[(4-bromophenyl)methyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide

C21H17BrN2O3 — CID 87468856

IUPACN-[(4-bromophenyl)methyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide
SMILESO=C(NO)c1cccc(-c2cccc(C(=O)NCc3ccc(Br)cc3)c2)c1
InChIInChI=1S/C21H17BrN2O3/c22-19-9-7-14(8-10-19)13-23-20(25)17-5-1-3-15(11-17)16-4-2-6-18(12-16)21(26)24-27/h1-12,27H,13H2,(H,23,25)(H,24,26)
InChIKeySDJFQHPRKYRLQY-UHFFFAOYSA-N
MW425.28 g/mol
LogP4.17
Rot. Bonds5

About N-[(4-bromophenyl)methyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide

N-[(4-bromophenyl)methyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide (PubChem CID 87468856) has the molecular formula C21H17BrN2O3 and a molecular weight of 425.28 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide
PubChem CID87468856
Molecular FormulaC21H17BrN2O3
Molecular Weight425.28 g/mol
Exact Mass424.04
IUPAC NameN-[(4-bromophenyl)methyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide
SMILESO=C(NO)c1cccc(-c2cccc(C(=O)NCc3ccc(Br)cc3)c2)c1
InChIInChI=1S/C21H17BrN2O3/c22-19-9-7-14(8-10-19)13-23-20(25)17-5-1-3-15(11-17)16-4-2-6-18(12-16)21(26)24-27/h1-12,27H,13H2,(H,23,25)(H,24,26)
InChIKeySDJFQHPRKYRLQY-UHFFFAOYSA-N
XLogP4.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.28
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N-[(4-bromophenyl)methyl]-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116997
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434
N-[(4-bromophenyl)methyl]-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 50815991
N-[(4-bromophenyl)methyl]-3,5-dimethylbenzamide
CID 61400488
3-bromo-N-[[4-(methoxymethyl)phenyl]methyl]benzamide
CID 39271149
N-benzyl-3-(4-carbamoylphenyl)benzamide
CID 117092674
N-[(4-bromophenyl)methyl]-4-hydroxy-3-prop-1-enylbenzamide
CID 72610018
N-[(4-bromophenyl)methyl]-4-ethylbenzamide
CID 61400403
4-bromo-N-[[4-(chloromethyl)phenyl]methyl]benzamide
CID 107233417
N-[2-(3-chlorophenyl)ethyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide
CID 25255713
N-benzyl-3-[(4-bromophenyl)sulfamoyl]benzamide
CID 561600
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide (CID 87468856) is N-[(4-bromophenyl)methyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide is O=C(NO)c1cccc(-c2cccc(C(=O)NCc3ccc(Br)cc3)c2)c1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide?
The InChIKey is SDJFQHPRKYRLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2O3/c22-19-9-7-14(8-10-19)13-23-20(25)17-5-1-3-15(11-17)16-4-2-6-18(12-16)21(26)24-27/h1-12,27H,13H2,(H,23,25)(H,24,26).
What are the key properties of N-[(4-bromophenyl)methyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide?
N-[(4-bromophenyl)methyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide has a molecular weight of 425.28 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide is sourced from PubChem (CID 87468856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).