2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide

C19H21ClN2O — CID 60514622

IUPAC2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)C2CC2)cc1
InChIInChI=1S/C19H21ClN2O/c1-14-2-8-17(9-3-14)21-19(23)13-22(18-10-11-18)12-15-4-6-16(20)7-5-15/h2-9,18H,10-13H2,1H3,(H,21,23)
InChIKeyKOPULSBUYUZOJB-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.25
Rot. Bonds6

About 2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide

2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide (PubChem CID 60514622) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide
PubChem CID60514622
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)C2CC2)cc1
InChIInChI=1S/C19H21ClN2O/c1-14-2-8-17(9-3-14)21-19(23)13-22(18-10-11-18)12-15-4-6-16(20)7-5-15/h2-9,18H,10-13H2,1H3,(H,21,23)
InChIKeyKOPULSBUYUZOJB-UHFFFAOYSA-N
XLogP4.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 8872677
N-(4-chlorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770105
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(4-methylphenyl)acetamide
CID 60516285
2-[[2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 55682363
2-[[2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 8905627
2-[cyclopropyl(2-hydroxyethyl)amino]-N-(4-methylphenyl)acetamide
CID 60509867
2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(3-methylbutan-2-yl)acetamide
CID 60502680
2-[(4-aminocyclohexyl)-ethylamino]-N-(4-methylphenyl)acetamide
CID 79114144
4-chloro-N-cyclopropyl-N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]benzamide
CID 4169930
N-(3-chlorophenyl)-2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 8872555
methyl 4-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetyl]amino]benzoate
CID 8770093
2-[cyclopropyl-[(4-fluorophenyl)methyl]amino]-N-[(4-methylphenyl)methyl]acetamide
CID 27119187

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide (CID 60514622) is 2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(Cc2ccc(Cl)cc2)C2CC2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is KOPULSBUYUZOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-14-2-8-17(9-3-14)21-19(23)13-22(18-10-11-18)12-15-4-6-16(20)7-5-15/h2-9,18H,10-13H2,1H3,(H,21,23).
What are the key properties of 2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide?
2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 328.84 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 60514622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).