3-chloro-N-cyclopropyl-4-methyl-5-(methylamino)benzamide

C12H15ClN2O — CID 142965782

IUPAC3-chloro-N-cyclopropyl-4-methyl-5-(methylamino)benzamide
SMILESCNc1cc(C(=O)NC2CC2)cc(Cl)c1C
InChIInChI=1S/C12H15ClN2O/c1-7-10(13)5-8(6-11(7)14-2)12(16)15-9-3-4-9/h5-6,9,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyBCBATXUNZUMPCR-UHFFFAOYSA-N
MW238.72 g/mol
LogP2.58
Rot. Bonds3

About 3-chloro-N-cyclopropyl-4-methyl-5-(methylamino)benzamide

3-chloro-N-cyclopropyl-4-methyl-5-(methylamino)benzamide (PubChem CID 142965782) has the molecular formula C12H15ClN2O and a molecular weight of 238.72 g/mol. Its IUPAC name is 3-chloro-N-cyclopropyl-4-methyl-5-(methylamino)benzamide.

Molecular Properties

Compound Name3-chloro-N-cyclopropyl-4-methyl-5-(methylamino)benzamide
PubChem CID142965782
Molecular FormulaC12H15ClN2O
Molecular Weight238.72 g/mol
Exact Mass238.09
IUPAC Name3-chloro-N-cyclopropyl-4-methyl-5-(methylamino)benzamide
SMILESCNc1cc(C(=O)NC2CC2)cc(Cl)c1C
InChIInChI=1S/C12H15ClN2O/c1-7-10(13)5-8(6-11(7)14-2)12(16)15-9-3-4-9/h5-6,9,14H,3-4H2,1-2H3,(H,15,16)
InChIKeyBCBATXUNZUMPCR-UHFFFAOYSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-cyclopropyl-4-methyl-5-(methylamino)benzamide?
The IUPAC name of 3-chloro-N-cyclopropyl-4-methyl-5-(methylamino)benzamide (CID 142965782) is 3-chloro-N-cyclopropyl-4-methyl-5-(methylamino)benzamide.
What is the SMILES notation for 3-chloro-N-cyclopropyl-4-methyl-5-(methylamino)benzamide?
The canonical SMILES for 3-chloro-N-cyclopropyl-4-methyl-5-(methylamino)benzamide is CNc1cc(C(=O)NC2CC2)cc(Cl)c1C.
What is the InChIKey of 3-chloro-N-cyclopropyl-4-methyl-5-(methylamino)benzamide?
The InChIKey is BCBATXUNZUMPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O/c1-7-10(13)5-8(6-11(7)14-2)12(16)15-9-3-4-9/h5-6,9,14H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 3-chloro-N-cyclopropyl-4-methyl-5-(methylamino)benzamide?
3-chloro-N-cyclopropyl-4-methyl-5-(methylamino)benzamide has a molecular weight of 238.72 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-cyclopropyl-4-methyl-5-(methylamino)benzamide is sourced from PubChem (CID 142965782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).