3-chloro-N-propan-2-ylbenzamide

C10H12ClNO — CID 669184

IUPAC3-chloro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO/c1-7(2)12-10(13)8-4-3-5-9(11)6-8/h3-7H,1-2H3,(H,12,13)
InChIKeyKEBUUNRWYGFFML-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.48
Rot. Bonds2

About 3-chloro-N-propan-2-ylbenzamide

3-chloro-N-propan-2-ylbenzamide (PubChem CID 669184) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 3-chloro-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-chloro-N-propan-2-ylbenzamide
PubChem CID669184
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name3-chloro-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO/c1-7(2)12-10(13)8-4-3-5-9(11)6-8/h3-7H,1-2H3,(H,12,13)
InChIKeyKEBUUNRWYGFFML-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-(3-oxobutan-2-yl)benzamide
CID 64997142
N-(1-amino-1-oxopropan-2-yl)-3-chlorobenzamide
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3-chloro-N-[(2S)-3-hydroxybut-3-en-2-yl]benzamide
CID 145361374
N-(4-amino-3-methyl-4-oxobutan-2-yl)-3-chlorobenzamide
CID 70989888
N-(4-bromobutan-2-yl)-3-chlorobenzamide
CID 83179175
3-[(3-chlorophenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 26498991
3-chloro-N-(5-chloropentan-2-yl)benzamide
CID 114305976
N-(1-amino-3-methylbutan-2-yl)-3-chlorobenzamide
CID 65191606
3-chloro-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]benzamide
CID 40648027
[2-oxo-2-(propan-2-ylamino)ethyl] 3-chlorobenzoate
CID 2503816
3-chloro-N-[1-(3-propan-2-yloxyphenyl)ethyl]benzamide
CID 46487521
3-(125I)iodo-N-propan-2-yl(125I)benzamide
CID 177469648

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-propan-2-ylbenzamide?
The IUPAC name of 3-chloro-N-propan-2-ylbenzamide (CID 669184) is 3-chloro-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-chloro-N-propan-2-ylbenzamide?
The canonical SMILES for 3-chloro-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-propan-2-ylbenzamide?
The InChIKey is KEBUUNRWYGFFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-7(2)12-10(13)8-4-3-5-9(11)6-8/h3-7H,1-2H3,(H,12,13).
What are the key properties of 3-chloro-N-propan-2-ylbenzamide?
3-chloro-N-propan-2-ylbenzamide has a molecular weight of 197.66 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-propan-2-ylbenzamide is sourced from PubChem (CID 669184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).