3-[(2-chloroacetyl)amino]-2-methylbenzamide

C10H11ClN2O2 — CID 43698457

IUPAC3-[(2-chloroacetyl)amino]-2-methylbenzamide
SMILESCc1c(NC(=O)CCl)cccc1C(N)=O
InChIInChI=1S/C10H11ClN2O2/c1-6-7(10(12)15)3-2-4-8(6)13-9(14)5-11/h2-4H,5H2,1H3,(H2,12,15)(H,13,14)
InChIKeyBAJNANXYUFFDLC-UHFFFAOYSA-N
MW226.66 g/mol
LogP1.27
Rot. Bonds3

About 3-[(2-chloroacetyl)amino]-2-methylbenzamide

3-[(2-chloroacetyl)amino]-2-methylbenzamide (PubChem CID 43698457) has the molecular formula C10H11ClN2O2 and a molecular weight of 226.66 g/mol. Its IUPAC name is 3-[(2-chloroacetyl)amino]-2-methylbenzamide.

Molecular Properties

Compound Name3-[(2-chloroacetyl)amino]-2-methylbenzamide
PubChem CID43698457
Molecular FormulaC10H11ClN2O2
Molecular Weight226.66 g/mol
Exact Mass226.05
IUPAC Name3-[(2-chloroacetyl)amino]-2-methylbenzamide
SMILESCc1c(NC(=O)CCl)cccc1C(N)=O
InChIInChI=1S/C10H11ClN2O2/c1-6-7(10(12)15)3-2-4-8(6)13-9(14)5-11/h2-4H,5H2,1H3,(H2,12,15)(H,13,14)
InChIKeyBAJNANXYUFFDLC-UHFFFAOYSA-N
XLogP1.27
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.66
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-carbamoyl-3-[(2-chloroacetyl)amino]-2-methylbenzamide
CID 24878934
3-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-methylbenzamide
CID 55246391
3-[[2-(tert-butylamino)acetyl]amino]-2-methylbenzamide
CID 78987092
3-[(4-amino-3-methylbutanoyl)amino]-2-methylbenzamide
CID 81075423
3-[[2-(cyclopropylmethylamino)acetyl]amino]-2-methylbenzamide
CID 54925416
3-[3-(3-chloro-4-methylphenyl)propanoylamino]-2-methylbenzamide
CID 34577318
3-[[2-[(2,6-dichlorophenyl)methylsulfanyl]acetyl]amino]-2-methylbenzamide
CID 53279074
methyl N-[3-[(2-chloroacetyl)amino]-2-methylphenyl]carbamate
CID 166415130
3-[(2-benzylsulfanylacetyl)amino]-2-methylbenzamide
CID 34568225
2-chloro-N-(2-methyl-3-propan-2-ylphenyl)acetamide
CID 166429832
3-[[2-(2-fluoroanilino)-2-oxoethyl]amino]-2-methylbenzamide
CID 78866555
3-(3,3-dimethylbutylamino)-2-methylbenzamide
CID 62952099

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloroacetyl)amino]-2-methylbenzamide?
The IUPAC name of 3-[(2-chloroacetyl)amino]-2-methylbenzamide (CID 43698457) is 3-[(2-chloroacetyl)amino]-2-methylbenzamide.
What is the SMILES notation for 3-[(2-chloroacetyl)amino]-2-methylbenzamide?
The canonical SMILES for 3-[(2-chloroacetyl)amino]-2-methylbenzamide is Cc1c(NC(=O)CCl)cccc1C(N)=O.
What is the InChIKey of 3-[(2-chloroacetyl)amino]-2-methylbenzamide?
The InChIKey is BAJNANXYUFFDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O2/c1-6-7(10(12)15)3-2-4-8(6)13-9(14)5-11/h2-4H,5H2,1H3,(H2,12,15)(H,13,14).
What are the key properties of 3-[(2-chloroacetyl)amino]-2-methylbenzamide?
3-[(2-chloroacetyl)amino]-2-methylbenzamide has a molecular weight of 226.66 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloroacetyl)amino]-2-methylbenzamide is sourced from PubChem (CID 43698457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).