N'-[2-(4-bromophenyl)acetyl]-3-hydroxybenzohydrazide

C15H13BrN2O3 — CID 17457296

IUPACN'-[2-(4-bromophenyl)acetyl]-3-hydroxybenzohydrazide
SMILESO=C(Cc1ccc(Br)cc1)NNC(=O)c1cccc(O)c1
InChIInChI=1S/C15H13BrN2O3/c16-12-6-4-10(5-7-12)8-14(20)17-18-15(21)11-2-1-3-13(19)9-11/h1-7,9,19H,8H2,(H,17,20)(H,18,21)
InChIKeyPCWJLOQXAKOMHP-UHFFFAOYSA-N
MW349.18 g/mol
LogP2.16
Rot. Bonds3

About N'-[2-(4-bromophenyl)acetyl]-3-hydroxybenzohydrazide

N'-[2-(4-bromophenyl)acetyl]-3-hydroxybenzohydrazide (PubChem CID 17457296) has the molecular formula C15H13BrN2O3 and a molecular weight of 349.18 g/mol. Its IUPAC name is N'-[2-(4-bromophenyl)acetyl]-3-hydroxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromophenyl)acetyl]-3-hydroxybenzohydrazide
PubChem CID17457296
Molecular FormulaC15H13BrN2O3
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC NameN'-[2-(4-bromophenyl)acetyl]-3-hydroxybenzohydrazide
SMILESO=C(Cc1ccc(Br)cc1)NNC(=O)c1cccc(O)c1
InChIInChI=1S/C15H13BrN2O3/c16-12-6-4-10(5-7-12)8-14(20)17-18-15(21)11-2-1-3-13(19)9-11/h1-7,9,19H,8H2,(H,17,20)(H,18,21)
InChIKeyPCWJLOQXAKOMHP-UHFFFAOYSA-N
XLogP2.16
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-N'-(2-phenylacetyl)benzohydrazide
CID 2304118
N'-(2-chloroacetyl)-3-hydroxybenzohydrazide
CID 166407635
N'-[2-(3-hydroxyphenyl)acetyl]-3-iodobenzohydrazide
CID 149266850
4-(chloromethyl)-N'-[2-(3-hydroxyphenyl)acetyl]benzohydrazide
CID 59422014
N'-[2-(4-chlorophenyl)acetyl]-3-methylbenzohydrazide
CID 965991
4-bromo-N'-[2-(3-methoxyphenyl)acetyl]benzohydrazide
CID 26912197
N'-[2-(4-bromophenyl)acetyl]-4-(diethylamino)benzohydrazide
CID 9156474
3-chloro-N'-[2-(4-phenylphenyl)acetyl]benzohydrazide
CID 1367057
N-[(5-bromo-2-fluorophenyl)methyl]-3-hydroxybenzamide
CID 61299476
3-chloro-N'-[2-[4-(trifluoromethyl)phenyl]acetyl]benzohydrazide
CID 27134177
methyl 4-[[[2-(3-hydroxyphenyl)acetyl]amino]carbamoyl]benzoate
CID 59421998
N'-[5-(4-bromophenyl)pentanoyl]-3-nitrobenzohydrazide
CID 55752300

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenyl)acetyl]-3-hydroxybenzohydrazide?
The IUPAC name of N'-[2-(4-bromophenyl)acetyl]-3-hydroxybenzohydrazide (CID 17457296) is N'-[2-(4-bromophenyl)acetyl]-3-hydroxybenzohydrazide.
What is the SMILES notation for N'-[2-(4-bromophenyl)acetyl]-3-hydroxybenzohydrazide?
The canonical SMILES for N'-[2-(4-bromophenyl)acetyl]-3-hydroxybenzohydrazide is O=C(Cc1ccc(Br)cc1)NNC(=O)c1cccc(O)c1.
What is the InChIKey of N'-[2-(4-bromophenyl)acetyl]-3-hydroxybenzohydrazide?
The InChIKey is PCWJLOQXAKOMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O3/c16-12-6-4-10(5-7-12)8-14(20)17-18-15(21)11-2-1-3-13(19)9-11/h1-7,9,19H,8H2,(H,17,20)(H,18,21).
What are the key properties of N'-[2-(4-bromophenyl)acetyl]-3-hydroxybenzohydrazide?
N'-[2-(4-bromophenyl)acetyl]-3-hydroxybenzohydrazide has a molecular weight of 349.18 g/mol, XLogP of 2.16, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenyl)acetyl]-3-hydroxybenzohydrazide is sourced from PubChem (CID 17457296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).