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

C24H24Cl2N2O — CID 42911455

IUPACN-benzhydryl-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
SMILESCC(C(=O)NC(c1ccccc1)c1ccccc1)N(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C24H24Cl2N2O/c1-17(28(2)16-20-14-9-15-21(25)22(20)26)24(29)27-23(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-15,17,23H,16H2,1-2H3,(H,27,29)
InChIKeyMGSMVJBFZFXQNL-UHFFFAOYSA-N
MW427.38 g/mol
LogP5.72
Rot. Bonds7

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

N-benzhydryl-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide (PubChem CID 42911455) has the molecular formula C24H24Cl2N2O and a molecular weight of 427.38 g/mol. Its IUPAC name is N-benzhydryl-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide.

Molecular Properties

Compound NameN-benzhydryl-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
PubChem CID42911455
Molecular FormulaC24H24Cl2N2O
Molecular Weight427.38 g/mol
Exact Mass426.13
IUPAC NameN-benzhydryl-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
SMILESCC(C(=O)NC(c1ccccc1)c1ccccc1)N(C)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C24H24Cl2N2O/c1-17(28(2)16-20-14-9-15-21(25)22(20)26)24(29)27-23(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-15,17,23H,16H2,1-2H3,(H,27,29)
InChIKeyMGSMVJBFZFXQNL-UHFFFAOYSA-N
XLogP5.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.38
LogP ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 46801717
N-benzhydryl-2-[(2,4-difluorophenyl)methyl-methylamino]propanamide
CID 55542481
2-[(2,3-dichlorophenyl)methyl-methylamino]-2-phenylacetamide
CID 24584549
(2S)-N-benzhydryl-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]propanamide
CID 27220919
(2R)-N-benzhydryl-2-[(3-fluorophenyl)methyl-methylamino]propanamide
CID 8516208
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(2-methylpropylcarbamoyl)propanamide
CID 46697394
(2R)-N-(tert-butylcarbamoyl)-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide
CID 40761168
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 24506904
2-[(2,3-dichlorophenyl)methyl-methylamino]-N-(4-nitrophenyl)propanamide
CID 55351839
3-[(2,3-dichlorophenyl)methyl-propan-2-ylamino]propanoic acid
CID 65057352
(2,3-dichlorophenyl)methyl-methylcarbamic acid
CID 23189896
(2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide
CID 8541703

Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide?
The IUPAC name of N-benzhydryl-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide (CID 42911455) is N-benzhydryl-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide.
What is the SMILES notation for N-benzhydryl-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide?
The canonical SMILES for N-benzhydryl-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide is CC(C(=O)NC(c1ccccc1)c1ccccc1)N(C)Cc1cccc(Cl)c1Cl.
What is the InChIKey of N-benzhydryl-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide?
The InChIKey is MGSMVJBFZFXQNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl2N2O/c1-17(28(2)16-20-14-9-15-21(25)22(20)26)24(29)27-23(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-15,17,23H,16H2,1-2H3,(H,27,29).
What are the key properties of N-benzhydryl-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide?
N-benzhydryl-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide has a molecular weight of 427.38 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-2-[(2,3-dichlorophenyl)methyl-methylamino]propanamide is sourced from PubChem (CID 42911455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).