4-chloro-N-(1-oxopropan-2-yl)benzamide

C10H10ClNO2 — CID 54017206

IUPAC4-chloro-N-(1-oxopropan-2-yl)benzamide
SMILESCC(C=O)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO2/c1-7(6-13)12-10(14)8-2-4-9(11)5-3-8/h2-7H,1H3,(H,12,14)
InChIKeyQLRGYZSWIIRTLH-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.66
Rot. Bonds3

About 4-chloro-N-(1-oxopropan-2-yl)benzamide

4-chloro-N-(1-oxopropan-2-yl)benzamide (PubChem CID 54017206) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 4-chloro-N-(1-oxopropan-2-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(1-oxopropan-2-yl)benzamide
PubChem CID54017206
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name4-chloro-N-(1-oxopropan-2-yl)benzamide
SMILESCC(C=O)NC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClNO2/c1-7(6-13)12-10(14)8-2-4-9(11)5-3-8/h2-7H,1H3,(H,12,14)
InChIKeyQLRGYZSWIIRTLH-UHFFFAOYSA-N
XLogP1.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2R)-1-oxopropan-2-yl]benzamide
CID 59710359
4-chloro-N-propan-2-ylbenzamide
CID 24045
4-chloro-N-(3-methylbutan-2-yl)benzamide
CID 4263927
3-(4-chlorophenyl)-2-methyl-3-oxopropanal
CID 175484761
N-(1-bromopropan-2-yl)-4-chlorobenzamide
CID 114310647
4-fluoro-3-(4-fluorophenyl)-N-(1-oxopropan-2-yl)benzamide
CID 167446103
4-chloro-N-(1-chloro-3-methylbutan-2-yl)benzamide
CID 114305535
4-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180574
N-(5-bromopentan-2-yl)-4-chlorobenzamide
CID 114316555
4-chloro-N-[(2R)-1-hydroxy-4-methylpentan-2-yl]benzamide
CID 39357973
4-chloro-N-[(2S)-1-hydrazinyl-3-methyl-1-oxobutan-2-yl]benzamide
CID 7321021
4-chloro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 4780866

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-oxopropan-2-yl)benzamide?
The IUPAC name of 4-chloro-N-(1-oxopropan-2-yl)benzamide (CID 54017206) is 4-chloro-N-(1-oxopropan-2-yl)benzamide.
What is the SMILES notation for 4-chloro-N-(1-oxopropan-2-yl)benzamide?
The canonical SMILES for 4-chloro-N-(1-oxopropan-2-yl)benzamide is CC(C=O)NC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1-oxopropan-2-yl)benzamide?
The InChIKey is QLRGYZSWIIRTLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c1-7(6-13)12-10(14)8-2-4-9(11)5-3-8/h2-7H,1H3,(H,12,14).
What are the key properties of 4-chloro-N-(1-oxopropan-2-yl)benzamide?
4-chloro-N-(1-oxopropan-2-yl)benzamide has a molecular weight of 211.65 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-oxopropan-2-yl)benzamide is sourced from PubChem (CID 54017206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).