N-(2-chlorophenyl)-3-[(2,3-dichlorophenyl)methyl-methylamino]propanamide

C17H17Cl3N2O — CID 24587420

IUPACN-(2-chlorophenyl)-3-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
SMILESCN(CCC(=O)Nc1ccccc1Cl)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C17H17Cl3N2O/c1-22(11-12-5-4-7-14(19)17(12)20)10-9-16(23)21-15-8-3-2-6-13(15)18/h2-8H,9-11H2,1H3,(H,21,23)
InChIKeyCXQKMEKGKLMXRU-UHFFFAOYSA-N
MW371.70 g/mol
LogP5.11
Rot. Bonds6

About N-(2-chlorophenyl)-3-[(2,3-dichlorophenyl)methyl-methylamino]propanamide

N-(2-chlorophenyl)-3-[(2,3-dichlorophenyl)methyl-methylamino]propanamide (PubChem CID 24587420) has the molecular formula C17H17Cl3N2O and a molecular weight of 371.70 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[(2,3-dichlorophenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
PubChem CID24587420
Molecular FormulaC17H17Cl3N2O
Molecular Weight371.70 g/mol
Exact Mass370.04
IUPAC NameN-(2-chlorophenyl)-3-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
SMILESCN(CCC(=O)Nc1ccccc1Cl)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C17H17Cl3N2O/c1-22(11-12-5-4-7-14(19)17(12)20)10-9-16(23)21-15-8-3-2-6-13(15)18/h2-8H,9-11H2,1H3,(H,21,23)
InChIKeyCXQKMEKGKLMXRU-UHFFFAOYSA-N
XLogP5.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.70
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 3-[[3-(2-chloroanilino)-3-oxopropyl]-methylamino]propanoate
CID 62012452
3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide
CID 113134341
3-(2,3-dichlorophenyl)-N-(2-ethylphenyl)propanamide
CID 38910581
3-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(2-chlorophenyl)propanamide;hydrochloride
CID 119928884
3-[acetyl-[(2-fluorophenyl)methyl]amino]-N-(2,3-dichlorophenyl)propanamide
CID 113119222
N-(2-fluorophenyl)-3-[(2-fluorophenyl)methyl-methylamino]propanamide
CID 24588973
3-[azetidin-3-yl(methyl)amino]-N-(2-chlorophenyl)propanamide
CID 66186658
N-(3-chloro-2-methylphenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057796
3-(2,3-dichlorophenyl)-N-(2-iodophenyl)propanamide
CID 38886351
3-[acetyl(tert-butyl)amino]-N-(2-chlorophenyl)propanamide
CID 113122534
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 27222681
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[(2,3-dichlorophenyl)methyl-methylamino]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[(2,3-dichlorophenyl)methyl-methylamino]propanamide (CID 24587420) is N-(2-chlorophenyl)-3-[(2,3-dichlorophenyl)methyl-methylamino]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[(2,3-dichlorophenyl)methyl-methylamino]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[(2,3-dichlorophenyl)methyl-methylamino]propanamide is CN(CCC(=O)Nc1ccccc1Cl)Cc1cccc(Cl)c1Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-[(2,3-dichlorophenyl)methyl-methylamino]propanamide?
The InChIKey is CXQKMEKGKLMXRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl3N2O/c1-22(11-12-5-4-7-14(19)17(12)20)10-9-16(23)21-15-8-3-2-6-13(15)18/h2-8H,9-11H2,1H3,(H,21,23).
What are the key properties of N-(2-chlorophenyl)-3-[(2,3-dichlorophenyl)methyl-methylamino]propanamide?
N-(2-chlorophenyl)-3-[(2,3-dichlorophenyl)methyl-methylamino]propanamide has a molecular weight of 371.70 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[(2,3-dichlorophenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 24587420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).