N-(2-chlorophenyl)-3-[cyclopropyl-[(4-methylphenyl)methyl]amino]propanamide

C20H23ClN2O — CID 34969253

IUPACN-(2-chlorophenyl)-3-[cyclopropyl-[(4-methylphenyl)methyl]amino]propanamide
SMILESCc1ccc(CN(CCC(=O)Nc2ccccc2Cl)C2CC2)cc1
InChIInChI=1S/C20H23ClN2O/c1-15-6-8-16(9-7-15)14-23(17-10-11-17)13-12-20(24)22-19-5-3-2-4-18(19)21/h2-9,17H,10-14H2,1H3,(H,22,24)
InChIKeyQBNUOHORIWYLAN-UHFFFAOYSA-N
MW342.87 g/mol
LogP4.64
Rot. Bonds7

About N-(2-chlorophenyl)-3-[cyclopropyl-[(4-methylphenyl)methyl]amino]propanamide

N-(2-chlorophenyl)-3-[cyclopropyl-[(4-methylphenyl)methyl]amino]propanamide (PubChem CID 34969253) has the molecular formula C20H23ClN2O and a molecular weight of 342.87 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[cyclopropyl-[(4-methylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[cyclopropyl-[(4-methylphenyl)methyl]amino]propanamide
PubChem CID34969253
Molecular FormulaC20H23ClN2O
Molecular Weight342.87 g/mol
Exact Mass342.15
IUPAC NameN-(2-chlorophenyl)-3-[cyclopropyl-[(4-methylphenyl)methyl]amino]propanamide
SMILESCc1ccc(CN(CCC(=O)Nc2ccccc2Cl)C2CC2)cc1
InChIInChI=1S/C20H23ClN2O/c1-15-6-8-16(9-7-15)14-23(17-10-11-17)13-12-20(24)22-19-5-3-2-4-18(19)21/h2-9,17H,10-14H2,1H3,(H,22,24)
InChIKeyQBNUOHORIWYLAN-UHFFFAOYSA-N
XLogP4.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzyl(cyclopropyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 34205276
3-[(4-aminocyclohexyl)-methylamino]-N-(2-chlorophenyl)propanamide
CID 79112697
N-cyclopropyl-4-[[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]methyl]benzamide
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3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide
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N-(2-chlorophenyl)-3-(4-methylphenyl)sulfanylpropanamide
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CID 68902207
N-(2-chlorophenyl)-2-[2-[cyclopropyl(methyl)amino]ethylamino]acetamide
CID 55140260
2-[(4-chlorophenyl)methyl-cyclopropylamino]-N-(4-methylphenyl)acetamide
CID 60514622
N-(2-chlorophenyl)-3-[(1,1-dioxothiolan-3-yl)-methylamino]propanamide
CID 51300755
N-(5-amino-2-fluorophenyl)-3-[benzyl(cyclopropyl)amino]propanamide
CID 113223373
3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-(2,5-dimethylphenyl)propanamide
CID 84568226
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CID 3787915

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[cyclopropyl-[(4-methylphenyl)methyl]amino]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[cyclopropyl-[(4-methylphenyl)methyl]amino]propanamide (CID 34969253) is N-(2-chlorophenyl)-3-[cyclopropyl-[(4-methylphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[cyclopropyl-[(4-methylphenyl)methyl]amino]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[cyclopropyl-[(4-methylphenyl)methyl]amino]propanamide is Cc1ccc(CN(CCC(=O)Nc2ccccc2Cl)C2CC2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-3-[cyclopropyl-[(4-methylphenyl)methyl]amino]propanamide?
The InChIKey is QBNUOHORIWYLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O/c1-15-6-8-16(9-7-15)14-23(17-10-11-17)13-12-20(24)22-19-5-3-2-4-18(19)21/h2-9,17H,10-14H2,1H3,(H,22,24).
What are the key properties of N-(2-chlorophenyl)-3-[cyclopropyl-[(4-methylphenyl)methyl]amino]propanamide?
N-(2-chlorophenyl)-3-[cyclopropyl-[(4-methylphenyl)methyl]amino]propanamide has a molecular weight of 342.87 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[cyclopropyl-[(4-methylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 34969253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).