N'-[2-[(4-bromophenyl)methyl-methylamino]acetyl]-4-chlorobenzohydrazide

C17H17BrClN3O2 — CID 2698674

IUPACN'-[2-[(4-bromophenyl)methyl-methylamino]acetyl]-4-chlorobenzohydrazide
SMILESCN(CC(=O)NNC(=O)c1ccc(Cl)cc1)Cc1ccc(Br)cc1
InChIInChI=1S/C17H17BrClN3O2/c1-22(10-12-2-6-14(18)7-3-12)11-16(23)20-21-17(24)13-4-8-15(19)9-5-13/h2-9H,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyXJVZPAYPRRGECH-UHFFFAOYSA-N
MW410.70 g/mol
LogP3.00
Rot. Bonds5

About N'-[2-[(4-bromophenyl)methyl-methylamino]acetyl]-4-chlorobenzohydrazide

N'-[2-[(4-bromophenyl)methyl-methylamino]acetyl]-4-chlorobenzohydrazide (PubChem CID 2698674) has the molecular formula C17H17BrClN3O2 and a molecular weight of 410.70 g/mol. Its IUPAC name is N'-[2-[(4-bromophenyl)methyl-methylamino]acetyl]-4-chlorobenzohydrazide.

Molecular Properties

Compound NameN'-[2-[(4-bromophenyl)methyl-methylamino]acetyl]-4-chlorobenzohydrazide
PubChem CID2698674
Molecular FormulaC17H17BrClN3O2
Molecular Weight410.70 g/mol
Exact Mass409.02
IUPAC NameN'-[2-[(4-bromophenyl)methyl-methylamino]acetyl]-4-chlorobenzohydrazide
SMILESCN(CC(=O)NNC(=O)c1ccc(Cl)cc1)Cc1ccc(Br)cc1
InChIInChI=1S/C17H17BrClN3O2/c1-22(10-12-2-6-14(18)7-3-12)11-16(23)20-21-17(24)13-4-8-15(19)9-5-13/h2-9H,10-11H2,1H3,(H,20,23)(H,21,24)
InChIKeyXJVZPAYPRRGECH-UHFFFAOYSA-N
XLogP3.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.70
LogP ≤ 53.00
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

N'-acetyl-2-[(4-chlorophenyl)methyl-methylamino]acetohydrazide
CID 8540470
4-chloro-N'-[2-[(3-methoxyphenyl)methyl-methylamino]acetyl]benzohydrazide
CID 2698184
N'-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]benzohydrazide
CID 8907587
(4-bromophenyl)methyl-[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl]-methylazanium
CID 2698673
N'-[2-[(3,4-dichlorophenyl)methyl-methylamino]acetyl]benzohydrazide
CID 9251458
2-[(4-chlorophenyl)methyl-methylamino]-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 27222414
4-bromo-N'-[2-(4-chlorophenoxy)acetyl]benzohydrazide
CID 4811581
1-(3-bromophenyl)-2-[(4-chlorophenyl)methyl-methylamino]ethanone
CID 62037578
4-bromo-N'-[3-(4-chlorophenoxy)propanoyl]benzohydrazide
CID 78876899
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978
4-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzamide
CID 2657336
2-[(4-chlorophenyl)methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 2657408

Frequently Asked Questions

What is the IUPAC name of N'-[2-[(4-bromophenyl)methyl-methylamino]acetyl]-4-chlorobenzohydrazide?
The IUPAC name of N'-[2-[(4-bromophenyl)methyl-methylamino]acetyl]-4-chlorobenzohydrazide (CID 2698674) is N'-[2-[(4-bromophenyl)methyl-methylamino]acetyl]-4-chlorobenzohydrazide.
What is the SMILES notation for N'-[2-[(4-bromophenyl)methyl-methylamino]acetyl]-4-chlorobenzohydrazide?
The canonical SMILES for N'-[2-[(4-bromophenyl)methyl-methylamino]acetyl]-4-chlorobenzohydrazide is CN(CC(=O)NNC(=O)c1ccc(Cl)cc1)Cc1ccc(Br)cc1.
What is the InChIKey of N'-[2-[(4-bromophenyl)methyl-methylamino]acetyl]-4-chlorobenzohydrazide?
The InChIKey is XJVZPAYPRRGECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClN3O2/c1-22(10-12-2-6-14(18)7-3-12)11-16(23)20-21-17(24)13-4-8-15(19)9-5-13/h2-9H,10-11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of N'-[2-[(4-bromophenyl)methyl-methylamino]acetyl]-4-chlorobenzohydrazide?
N'-[2-[(4-bromophenyl)methyl-methylamino]acetyl]-4-chlorobenzohydrazide has a molecular weight of 410.70 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[(4-bromophenyl)methyl-methylamino]acetyl]-4-chlorobenzohydrazide is sourced from PubChem (CID 2698674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).