4-chloro-3-(1-cyclopropylethylamino)-N-methylbenzamide

C13H17ClN2O — CID 43721027

IUPAC4-chloro-3-(1-cyclopropylethylamino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NC(C)C2CC2)c1
InChIInChI=1S/C13H17ClN2O/c1-8(9-3-4-9)16-12-7-10(13(17)15-2)5-6-11(12)14/h5-9,16H,3-4H2,1-2H3,(H,15,17)
InChIKeyOICRJULTUUHRNQ-UHFFFAOYSA-N
MW252.75 g/mol
LogP2.91
Rot. Bonds4

About 4-chloro-3-(1-cyclopropylethylamino)-N-methylbenzamide

4-chloro-3-(1-cyclopropylethylamino)-N-methylbenzamide (PubChem CID 43721027) has the molecular formula C13H17ClN2O and a molecular weight of 252.75 g/mol. Its IUPAC name is 4-chloro-3-(1-cyclopropylethylamino)-N-methylbenzamide.

Molecular Properties

Compound Name4-chloro-3-(1-cyclopropylethylamino)-N-methylbenzamide
PubChem CID43721027
Molecular FormulaC13H17ClN2O
Molecular Weight252.75 g/mol
Exact Mass252.10
IUPAC Name4-chloro-3-(1-cyclopropylethylamino)-N-methylbenzamide
SMILESCNC(=O)c1ccc(Cl)c(NC(C)C2CC2)c1
InChIInChI=1S/C13H17ClN2O/c1-8(9-3-4-9)16-12-7-10(13(17)15-2)5-6-11(12)14/h5-9,16H,3-4H2,1-2H3,(H,15,17)
InChIKeyOICRJULTUUHRNQ-UHFFFAOYSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.75
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 4-chloro-3-(1-cyclohexylethylamino)benzoate
CID 43784631
4-chloro-N-methyl-3-(thian-4-ylamino)benzamide
CID 43721059
3-amino-4-(1-cyclohexylethylamino)-N-methylbenzamide
CID 82989134
4-chloro-3-(cyclopropylcarbamoylamino)-N-methylbenzamide
CID 47223819
4-(1-cyclobutylethylamino)-N-methyl-3-nitrobenzamide
CID 115766672
4-chloro-3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzamide
CID 43720989
3-amino-4-chloro-N-(1-cyclopropylethyl)benzamide
CID 43533105
4-chloro-N-methyl-3-[1-(2-methylphenyl)ethylamino]benzamide
CID 43721017
4-(1-cyclohexylethylamino)-N-methylbenzamide
CID 43781056
3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide
CID 42919481
4-chloro-N-methyl-3-(2-methylpropylcarbamoylamino)benzamide
CID 47223817
methyl 2-[2-chloro-5-(methylcarbamoyl)anilino]butanoate
CID 115352751

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(1-cyclopropylethylamino)-N-methylbenzamide?
The IUPAC name of 4-chloro-3-(1-cyclopropylethylamino)-N-methylbenzamide (CID 43721027) is 4-chloro-3-(1-cyclopropylethylamino)-N-methylbenzamide.
What is the SMILES notation for 4-chloro-3-(1-cyclopropylethylamino)-N-methylbenzamide?
The canonical SMILES for 4-chloro-3-(1-cyclopropylethylamino)-N-methylbenzamide is CNC(=O)c1ccc(Cl)c(NC(C)C2CC2)c1.
What is the InChIKey of 4-chloro-3-(1-cyclopropylethylamino)-N-methylbenzamide?
The InChIKey is OICRJULTUUHRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-8(9-3-4-9)16-12-7-10(13(17)15-2)5-6-11(12)14/h5-9,16H,3-4H2,1-2H3,(H,15,17).
What are the key properties of 4-chloro-3-(1-cyclopropylethylamino)-N-methylbenzamide?
4-chloro-3-(1-cyclopropylethylamino)-N-methylbenzamide has a molecular weight of 252.75 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(1-cyclopropylethylamino)-N-methylbenzamide is sourced from PubChem (CID 43721027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).