3-chloro-N-cyclopropyl-N-methylbenzamide

C11H12ClNO — CID 110726716

IUPAC3-chloro-N-cyclopropyl-N-methylbenzamide
SMILESCN(C(=O)c1cccc(Cl)c1)C1CC1
InChIInChI=1S/C11H12ClNO/c1-13(10-5-6-10)11(14)8-3-2-4-9(12)7-8/h2-4,7,10H,5-6H2,1H3
InChIKeyJDBZWQIZDQISSM-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.57
Rot. Bonds2

About 3-chloro-N-cyclopropyl-N-methylbenzamide

3-chloro-N-cyclopropyl-N-methylbenzamide (PubChem CID 110726716) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-N-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-N-methylbenzamide
PubChem CID110726716
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name3-chloro-N-cyclopropyl-N-methylbenzamide
SMILESCN(C(=O)c1cccc(Cl)c1)C1CC1
InChIInChI=1S/C11H12ClNO/c1-13(10-5-6-10)11(14)8-3-2-4-9(12)7-8/h2-4,7,10H,5-6H2,1H3
InChIKeyJDBZWQIZDQISSM-UHFFFAOYSA-N
XLogP2.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-N-methyl-N-[4-(methylamino)cyclohexyl]benzamide
CID 79110686
N-cyclopropyl-3-(dimethylamino)-N-methylbenzamide
CID 110744271
3-chloro-N-[(1R,2R,3R)-2,3-dihydroxycyclohexyl]-N-methylbenzamide
CID 110143758
cis-methyl (1S,3R)-3-[(3-chlorobenzoyl)-methylamino]cyclohexane-1-carboxylate
CID 118319568
3-carbamothioyl-N-cyclopropyl-N-methylbenzamide
CID 43265122
N-cyclopropyl-3-hydrazinyl-N-methylbenzamide
CID 91201306
3-chloro-N-cyclopropyl-N-(2-hydroxyethyl)benzamide
CID 43576965
N-cyclopentyl-3-hydroxy-N-methylbenzamide
CID 43243153
N-(4-aminocyclohexyl)-N,3-dimethylbenzamide
CID 79121288
N-cyclopropyl-N-methyl-3-sulfamoylbenzamide
CID 43265275
3-bromo-N-cyclopentyl-N-methylbenzamide
CID 43213208
3-(carbamoylamino)-N-cyclopropyl-N-methylbenzamide
CID 47415616

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-N-methylbenzamide?
The IUPAC name of 3-chloro-N-cyclopropyl-N-methylbenzamide (CID 110726716) is 3-chloro-N-cyclopropyl-N-methylbenzamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-N-methylbenzamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-N-methylbenzamide is CN(C(=O)c1cccc(Cl)c1)C1CC1.
What is the InChIKey of 3-chloro-N-cyclopropyl-N-methylbenzamide?
The InChIKey is JDBZWQIZDQISSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-13(10-5-6-10)11(14)8-3-2-4-9(12)7-8/h2-4,7,10H,5-6H2,1H3.
What are the key properties of 3-chloro-N-cyclopropyl-N-methylbenzamide?
3-chloro-N-cyclopropyl-N-methylbenzamide has a molecular weight of 209.68 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-N-methylbenzamide is sourced from PubChem (CID 110726716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).