4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide

C12H15ClN2O2 — CID 16640627

IUPAC4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)CCl)cc1
InChIInChI=1S/C12H15ClN2O2/c1-8(2)14-12(17)9-3-5-10(6-4-9)15-11(16)7-13/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyDJRIJPRDWHELQD-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.00
Rot. Bonds4

About 4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide

4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide (PubChem CID 16640627) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide
PubChem CID16640627
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1ccc(NC(=O)CCl)cc1
InChIInChI=1S/C12H15ClN2O2/c1-8(2)14-12(17)9-3-5-10(6-4-9)15-11(16)7-13/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyDJRIJPRDWHELQD-UHFFFAOYSA-N
XLogP2.00
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.00
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

4-(3-methylbutanoylamino)-N-propan-2-ylbenzamide
CID 47294536
4-[[2-(methylamino)acetyl]amino]-N-propan-2-ylbenzamide;hydrochloride
CID 119740075
4-[3-(ethylamino)propanoylamino]-N-propan-2-ylbenzamide
CID 62835672
4-(3-aminopropanoylamino)-N-propan-2-ylbenzamide;hydrochloride
CID 119298478
4-(5-hydroxypentanoylamino)-N-propan-2-ylbenzamide
CID 79199156
4-[3-(ethylamino)butanoylamino]-N-propan-2-ylbenzamide
CID 62838667
4-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180574
4-(5-aminohexanoylamino)-N-propan-2-ylbenzamide
CID 82849341
4-[(2-chloroacetyl)amino]-N-cyclopentylbenzamide
CID 16640624
4-(butylcarbamoylamino)-N-propan-2-ylbenzamide
CID 17180623
N-propan-2-yl-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzamide
CID 26157459
N-propan-2-yl-4-[(4-propan-2-ylphenyl)carbamoylamino]benzamide
CID 17180586

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide?
The IUPAC name of 4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide (CID 16640627) is 4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1ccc(NC(=O)CCl)cc1.
What is the InChIKey of 4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide?
The InChIKey is DJRIJPRDWHELQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-8(2)14-12(17)9-3-5-10(6-4-9)15-11(16)7-13/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of 4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide?
4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide has a molecular weight of 254.72 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 16640627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).