N-chloro-N,2-dimethylbenzamide

C9H10ClNO — CID 166437996

IUPACN-chloro-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)Cl
InChIInChI=1S/C9H10ClNO/c1-7-5-3-4-6-8(7)9(12)11(2)10/h3-6H,1-2H3
InChIKeyXTRIJTREWBRTLC-UHFFFAOYSA-N
MW183.64 g/mol
LogP2.22
Rot. Bonds1

About N-chloro-N,2-dimethylbenzamide

N-chloro-N,2-dimethylbenzamide (PubChem CID 166437996) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is N-chloro-N,2-dimethylbenzamide.

Molecular Properties

Compound NameN-chloro-N,2-dimethylbenzamide
PubChem CID166437996
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC NameN-chloro-N,2-dimethylbenzamide
SMILESCc1ccccc1C(=O)N(C)Cl
InChIInChI=1S/C9H10ClNO/c1-7-5-3-4-6-8(7)9(12)11(2)10/h3-6H,1-2H3
InChIKeyXTRIJTREWBRTLC-UHFFFAOYSA-N
XLogP2.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-iodo-N,2-dimethylbenzamide
CID 143099347
N,2-dimethylbenzohydrazide;hydrochloride
CID 21321934
N,2-dimethyl-N-phenylbenzamide
CID 5222383
N,2-dimethyl-N-(2-methylphenyl)benzamide
CID 71395326
N,2-dimethyl-N-(4-methylphenyl)benzamide
CID 58207098
N,2-dimethyl-N-propylbenzamide;ethane
CID 142246396
N-(2-cyanopropan-2-yl)-N,2-dimethylbenzamide
CID 82127029
2-methylbenzoyl chloride;dihydrochloride
CID 141083599
N-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide
CID 43908097
N-(4-cyanophenyl)-N,2-dimethylbenzamide
CID 62982757
N-(4-chlorophenyl)-2-methylbenzohydrazide
CID 174751857
N,2-dimethyl-N-(1-phenylethyl)benzamide
CID 78799210

Frequently Asked Questions

What is the IUPAC name of N-chloro-N,2-dimethylbenzamide?
The IUPAC name of N-chloro-N,2-dimethylbenzamide (CID 166437996) is N-chloro-N,2-dimethylbenzamide.
What is the SMILES notation for N-chloro-N,2-dimethylbenzamide?
The canonical SMILES for N-chloro-N,2-dimethylbenzamide is Cc1ccccc1C(=O)N(C)Cl.
What is the InChIKey of N-chloro-N,2-dimethylbenzamide?
The InChIKey is XTRIJTREWBRTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO/c1-7-5-3-4-6-8(7)9(12)11(2)10/h3-6H,1-2H3.
What are the key properties of N-chloro-N,2-dimethylbenzamide?
N-chloro-N,2-dimethylbenzamide has a molecular weight of 183.64 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N,2-dimethylbenzamide is sourced from PubChem (CID 166437996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).