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

C18H20Cl2N2O — CID 18094060

IUPACN-[(2-chlorophenyl)methyl]-2-[(3-chlorophenyl)methyl-methylamino]propanamide
SMILESCC(C(=O)NCc1ccccc1Cl)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C18H20Cl2N2O/c1-13(22(2)12-14-6-5-8-16(19)10-14)18(23)21-11-15-7-3-4-9-17(15)20/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyTUYZRRAPWIAONW-UHFFFAOYSA-N
MW351.28 g/mol
LogP4.13
Rot. Bonds6

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

N-[(2-chlorophenyl)methyl]-2-[(3-chlorophenyl)methyl-methylamino]propanamide (PubChem CID 18094060) has the molecular formula C18H20Cl2N2O and a molecular weight of 351.28 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[(3-chlorophenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[(3-chlorophenyl)methyl-methylamino]propanamide
PubChem CID18094060
Molecular FormulaC18H20Cl2N2O
Molecular Weight351.28 g/mol
Exact Mass350.10
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[(3-chlorophenyl)methyl-methylamino]propanamide
SMILESCC(C(=O)NCc1ccccc1Cl)N(C)Cc1cccc(Cl)c1
InChIInChI=1S/C18H20Cl2N2O/c1-13(22(2)12-14-6-5-8-16(19)10-14)18(23)21-11-15-7-3-4-9-17(15)20/h3-10,13H,11-12H2,1-2H3,(H,21,23)
InChIKeyTUYZRRAPWIAONW-UHFFFAOYSA-N
XLogP4.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 18094062
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methylbutan-2-yl)propanamide
CID 47145321
2-[(3-chlorophenyl)methyl-methylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 55525636
(2R)-2-[(2-chlorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 8541611
N-butyl-2-[(3-chlorophenyl)methyl-[3-(2-chlorophenyl)propanoyl]amino]propanamide
CID 133192663
(2S)-2-(3-chlorophenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 894862
(2R)-2-[(3-chlorophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)propanamide
CID 9251072
N-(1,3-benzodioxol-5-yl)-2-[(3-chlorophenyl)methyl-methylamino]propanamide
CID 51167371
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-nitrophenyl)propanamide
CID 51167376
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(4-chlorophenyl)methyl]propanamide
CID 17475859
2-[(3-chlorophenyl)methyl-(2-phenylacetyl)amino]-N-(2-methylpropyl)propanamide
CID 133204820
N-[(2-chlorophenyl)methyl]-2-[2-(2-fluorophenoxy)ethyl-methylamino]propanamide
CID 18094687

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(3-chlorophenyl)methyl-methylamino]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[(3-chlorophenyl)methyl-methylamino]propanamide (CID 18094060) is N-[(2-chlorophenyl)methyl]-2-[(3-chlorophenyl)methyl-methylamino]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[(3-chlorophenyl)methyl-methylamino]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[(3-chlorophenyl)methyl-methylamino]propanamide is CC(C(=O)NCc1ccccc1Cl)N(C)Cc1cccc(Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[(3-chlorophenyl)methyl-methylamino]propanamide?
The InChIKey is TUYZRRAPWIAONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O/c1-13(22(2)12-14-6-5-8-16(19)10-14)18(23)21-11-15-7-3-4-9-17(15)20/h3-10,13H,11-12H2,1-2H3,(H,21,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[(3-chlorophenyl)methyl-methylamino]propanamide?
N-[(2-chlorophenyl)methyl]-2-[(3-chlorophenyl)methyl-methylamino]propanamide has a molecular weight of 351.28 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[(3-chlorophenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 18094060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).