4-chloro-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]benzamide

C19H21ClN2O2 — CID 9227980

IUPAC4-chloro-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]benzamide
SMILESCc1ccc(CN(C)C(=O)CNC(=O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C19H21ClN2O2/c1-13-4-5-16(14(2)10-13)12-22(3)18(23)11-21-19(24)15-6-8-17(20)9-7-15/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyOWLDYANFRGJWLK-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.35
Rot. Bonds5

About 4-chloro-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]benzamide

4-chloro-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]benzamide (PubChem CID 9227980) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 4-chloro-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]benzamide
PubChem CID9227980
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name4-chloro-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]benzamide
SMILESCc1ccc(CN(C)C(=O)CNC(=O)c2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C19H21ClN2O2/c1-13-4-5-16(14(2)10-13)12-22(3)18(23)11-21-19(24)15-6-8-17(20)9-7-15/h4-10H,11-12H2,1-3H3,(H,21,24)
InChIKeyOWLDYANFRGJWLK-UHFFFAOYSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9228101
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-benzamidoacetate
CID 7603617
N-[(4-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)-N-methylacetamide
CID 100559271
4-chloro-N-[3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropyl]benzamide
CID 9369047
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide
CID 78914540
3-chloro-N-[(2,4-dimethylphenyl)methyl]-4-iodo-N-methylbenzamide
CID 103221365
(E)-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-3-phenylprop-2-enamide
CID 9228047
N-[(2,4-dimethylphenyl)methyl]-3-hydroxy-N-methylpropanamide
CID 115139140
N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 31138692
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 7604075
5-chloro-N-[(2,4-dimethylphenyl)methyl]-N-methylpentanamide
CID 43346985
3-chloro-N-[2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 41437401

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]benzamide (CID 9227980) is 4-chloro-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]benzamide is Cc1ccc(CN(C)C(=O)CNC(=O)c2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of 4-chloro-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]benzamide?
The InChIKey is OWLDYANFRGJWLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13-4-5-16(14(2)10-13)12-22(3)18(23)11-21-19(24)15-6-8-17(20)9-7-15/h4-10H,11-12H2,1-3H3,(H,21,24).
What are the key properties of 4-chloro-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]benzamide?
4-chloro-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]benzamide has a molecular weight of 344.84 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]benzamide is sourced from PubChem (CID 9227980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).