4-(chloromethyl)-N',N'-dimethylbenzohydrazide

C10H13ClN2O — CID 83011386

IUPAC4-(chloromethyl)-N',N'-dimethylbenzohydrazide
SMILESCN(C)NC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C10H13ClN2O/c1-13(2)12-10(14)9-5-3-8(7-11)4-6-9/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyNXCKSQCQHDMBQB-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.63
Rot. Bonds3

About 4-(chloromethyl)-N',N'-dimethylbenzohydrazide

4-(chloromethyl)-N',N'-dimethylbenzohydrazide (PubChem CID 83011386) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 4-(chloromethyl)-N',N'-dimethylbenzohydrazide.

Molecular Properties

Compound Name4-(chloromethyl)-N',N'-dimethylbenzohydrazide
PubChem CID83011386
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name4-(chloromethyl)-N',N'-dimethylbenzohydrazide
SMILESCN(C)NC(=O)c1ccc(CCl)cc1
InChIInChI=1S/C10H13ClN2O/c1-13(2)12-10(14)9-5-3-8(7-11)4-6-9/h3-6H,7H2,1-2H3,(H,12,14)
InChIKeyNXCKSQCQHDMBQB-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(chloromethyl)-N-[4-(dimethylamino)phenyl]benzamide
CID 43617033
4-[4-(chloromethyl)-1,3-thiazol-2-yl]-N',N'-dimethylbenzohydrazide
CID 83020344
N',N'-dimethylbenzohydrazide;hydrochloride
CID 131848151
4-(dimethylaminocarbamoyl)benzenecarbothioamide
CID 83016264
[4-[4-(chloromethyl)benzoyl]phenyl]-[4-(chloromethyl)phenyl]methanone
CID 71442703
4-(chloromethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzamide
CID 79358822
4-(chloromethyl)-N-(1-hydroxypropan-2-yl)benzamide
CID 61251276
4-(chloromethyl)-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 61251736
4-(chloromethyl)-N-hexylbenzamide
CID 43168029
4-(chloromethyl)-N-[2-(dimethylamino)-3-pyridinyl]benzamide
CID 43698922
4-(chloromethyl)-N-(2-methylsulfonylethyl)benzamide
CID 54931961
4-(chloromethyl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79250325

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-N',N'-dimethylbenzohydrazide?
The IUPAC name of 4-(chloromethyl)-N',N'-dimethylbenzohydrazide (CID 83011386) is 4-(chloromethyl)-N',N'-dimethylbenzohydrazide.
What is the SMILES notation for 4-(chloromethyl)-N',N'-dimethylbenzohydrazide?
The canonical SMILES for 4-(chloromethyl)-N',N'-dimethylbenzohydrazide is CN(C)NC(=O)c1ccc(CCl)cc1.
What is the InChIKey of 4-(chloromethyl)-N',N'-dimethylbenzohydrazide?
The InChIKey is NXCKSQCQHDMBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-13(2)12-10(14)9-5-3-8(7-11)4-6-9/h3-6H,7H2,1-2H3,(H,12,14).
What are the key properties of 4-(chloromethyl)-N',N'-dimethylbenzohydrazide?
4-(chloromethyl)-N',N'-dimethylbenzohydrazide has a molecular weight of 212.68 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-N',N'-dimethylbenzohydrazide is sourced from PubChem (CID 83011386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).