2-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide

C17H19ClN2O — CID 99835968

IUPAC2-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCN(C)c2ccccc2)c(Cl)c1
InChIInChI=1S/C17H19ClN2O/c1-13-8-9-15(16(18)12-13)17(21)19-10-11-20(2)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,19,21)
InChIKeyJXKAXOFCSQWZQM-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.51
Rot. Bonds5

About 2-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide

2-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide (PubChem CID 99835968) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide
PubChem CID99835968
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name2-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCN(C)c2ccccc2)c(Cl)c1
InChIInChI=1S/C17H19ClN2O/c1-13-8-9-15(16(18)12-13)17(21)19-10-11-20(2)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,19,21)
InChIKeyJXKAXOFCSQWZQM-UHFFFAOYSA-N
XLogP3.51
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-fluoro-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395334
2,4-dichloro-N-[3-(N-methylanilino)propyl]benzamide
CID 27746785
2,4,5-trimethyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 100710814
2,5-dichloro-N-[2-(N-methylanilino)ethyl]pyridine-4-carboxamide
CID 114917579
4-chloro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
CID 81225507
N-[2-(N,4-dimethylanilino)ethyl]-2-iodo-4-methylbenzamide
CID 100527914
2-amino-5-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 61111968
2-chloro-N-[2-(N-methylanilino)ethyl]furan-3-carboxamide
CID 106685683
1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
3-amino-2-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 115930279
4-bromo-3-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 81295152
2-chloro-5-fluoro-N-[2-(N-methylanilino)ethyl]pyridine-3-carboxamide
CID 103939963

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide?
The IUPAC name of 2-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide (CID 99835968) is 2-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide.
What is the SMILES notation for 2-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide?
The canonical SMILES for 2-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide is Cc1ccc(C(=O)NCCN(C)c2ccccc2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide?
The InChIKey is JXKAXOFCSQWZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-13-8-9-15(16(18)12-13)17(21)19-10-11-20(2)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,19,21).
What are the key properties of 2-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide?
2-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide has a molecular weight of 302.81 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-[2-(N-methylanilino)ethyl]benzamide is sourced from PubChem (CID 99835968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).