4-chloro-N-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzamide

C19H21ClN2O2 — CID 9369047

IUPAC4-chloro-N-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzamide
SMILESCc1ccccc1CN(C)C(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-14-5-3-4-6-16(14)13-22(2)18(23)11-12-21-19(24)15-7-9-17(20)10-8-15/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeySGSKFWFYOZEAAD-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.43
Rot. Bonds6

About 4-chloro-N-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzamide

4-chloro-N-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzamide (PubChem CID 9369047) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 4-chloro-N-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzamide
PubChem CID9369047
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name4-chloro-N-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzamide
SMILESCc1ccccc1CN(C)C(=O)CCNC(=O)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c1-14-5-3-4-6-16(14)13-22(2)18(23)11-12-21-19(24)15-7-9-17(20)10-8-15/h3-10H,11-13H2,1-2H3,(H,21,24)
InChIKeySGSKFWFYOZEAAD-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[3-[methyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]benzamide
CID 7779935
N-[4-[benzyl(methyl)amino]-4-oxobutyl]-4-chlorobenzamide
CID 27665840
N-[3-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-3-oxopropyl]-2-methylbenzamide
CID 9183634
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 43578823
3-(tert-butylamino)-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 60849544
N-[3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-3-oxopropyl]-4-chlorobenzamide
CID 17397418
4-chloro-N-[4-[methyl(naphthalen-2-ylmethyl)amino]-4-oxobutyl]benzamide
CID 27848251
4-chloro-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 9227980
4-chloro-N-[3-[methoxy(methyl)amino]-3-oxopropyl]benzamide
CID 18283094
2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 16769161
3-[(2-chlorophenyl)sulfonylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 51161411
4-chloro-N-[3-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-3-oxopropyl]benzamide
CID 9494370

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzamide?
The IUPAC name of 4-chloro-N-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzamide (CID 9369047) is 4-chloro-N-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzamide.
What is the SMILES notation for 4-chloro-N-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzamide?
The canonical SMILES for 4-chloro-N-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzamide is Cc1ccccc1CN(C)C(=O)CCNC(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzamide?
The InChIKey is SGSKFWFYOZEAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-14-5-3-4-6-16(14)13-22(2)18(23)11-12-21-19(24)15-7-9-17(20)10-8-15/h3-10H,11-13H2,1-2H3,(H,21,24).
What are the key properties of 4-chloro-N-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzamide?
4-chloro-N-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzamide has a molecular weight of 344.84 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzamide is sourced from PubChem (CID 9369047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).