5-bromo-N'-(3-methylbenzoyl)-2-(2-methylpropoxy)benzohydrazide

C19H21BrN2O3 — CID 17050976

IUPAC5-bromo-N'-(3-methylbenzoyl)-2-(2-methylpropoxy)benzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)c1
InChIInChI=1S/C19H21BrN2O3/c1-12(2)11-25-17-8-7-15(20)10-16(17)19(24)22-21-18(23)14-6-4-5-13(3)9-14/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyFGLYRBDPVYNHKM-UHFFFAOYSA-N
MW405.29 g/mol
LogP3.87
Rot. Bonds5

About 5-bromo-N'-(3-methylbenzoyl)-2-(2-methylpropoxy)benzohydrazide

5-bromo-N'-(3-methylbenzoyl)-2-(2-methylpropoxy)benzohydrazide (PubChem CID 17050976) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 5-bromo-N'-(3-methylbenzoyl)-2-(2-methylpropoxy)benzohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(3-methylbenzoyl)-2-(2-methylpropoxy)benzohydrazide
PubChem CID17050976
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC Name5-bromo-N'-(3-methylbenzoyl)-2-(2-methylpropoxy)benzohydrazide
SMILESCc1cccc(C(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)c1
InChIInChI=1S/C19H21BrN2O3/c1-12(2)11-25-17-8-7-15(20)10-16(17)19(24)22-21-18(23)14-6-4-5-13(3)9-14/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyFGLYRBDPVYNHKM-UHFFFAOYSA-N
XLogP3.87
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-hexoxy-N'-(3-methylbenzoyl)benzohydrazide
CID 17343478
N-[4-[[[5-bromo-2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenyl]acetamide
CID 17050985
N-[4-[[[5-bromo-2-(2-methylpropoxy)benzoyl]amino]carbamoyl]phenyl]-2-methylpropanamide
CID 17051053
5-bromo-2-(3-methylbutoxy)-N'-[4-(2-methylpropoxy)benzoyl]benzohydrazide
CID 17350932
5-bromo-N-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]-2-(3-methylbutoxy)benzamide
CID 17351189
N-[4-[[[5-bromo-2-(2-phenylethoxy)benzoyl]amino]carbamoyl]phenyl]-3-methylbenzamide
CID 17046394
5-bromo-N'-(3-ethoxypropanoyl)-2-(2-methylpropoxy)benzohydrazide
CID 17051072
5-bromo-2-(2-methoxyethoxy)-N-[4-[(3-methylbenzoyl)amino]phenyl]benzamide
CID 17252356
N'-[2-(4-bromo-2-methylphenoxy)acetyl]-3-(2-methylpropoxy)benzohydrazide
CID 17140458
5-bromo-2-(2-methylpropoxy)-N-[[(4-phenylbenzoyl)amino]carbamothioyl]benzamide
CID 17051291
N'-benzoyl-5-bromo-2-(2-methoxyethoxy)benzohydrazide
CID 17357395
N-[3-[(3-methylbenzoyl)amino]phenyl]-2-(2-methylpropoxy)benzamide
CID 50985810

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(3-methylbenzoyl)-2-(2-methylpropoxy)benzohydrazide?
The IUPAC name of 5-bromo-N'-(3-methylbenzoyl)-2-(2-methylpropoxy)benzohydrazide (CID 17050976) is 5-bromo-N'-(3-methylbenzoyl)-2-(2-methylpropoxy)benzohydrazide.
What is the SMILES notation for 5-bromo-N'-(3-methylbenzoyl)-2-(2-methylpropoxy)benzohydrazide?
The canonical SMILES for 5-bromo-N'-(3-methylbenzoyl)-2-(2-methylpropoxy)benzohydrazide is Cc1cccc(C(=O)NNC(=O)c2cc(Br)ccc2OCC(C)C)c1.
What is the InChIKey of 5-bromo-N'-(3-methylbenzoyl)-2-(2-methylpropoxy)benzohydrazide?
The InChIKey is FGLYRBDPVYNHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-12(2)11-25-17-8-7-15(20)10-16(17)19(24)22-21-18(23)14-6-4-5-13(3)9-14/h4-10,12H,11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 5-bromo-N'-(3-methylbenzoyl)-2-(2-methylpropoxy)benzohydrazide?
5-bromo-N'-(3-methylbenzoyl)-2-(2-methylpropoxy)benzohydrazide has a molecular weight of 405.29 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(3-methylbenzoyl)-2-(2-methylpropoxy)benzohydrazide is sourced from PubChem (CID 17050976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).