2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(4-chlorophenyl)methyl]propanamide

C18H19Cl2FN2O — CID 17475859

IUPAC2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(4-chlorophenyl)methyl]propanamide
SMILESCC(C(=O)NCc1ccc(Cl)cc1)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H19Cl2FN2O/c1-12(18(24)22-10-13-6-8-14(19)9-7-13)23(2)11-15-16(20)4-3-5-17(15)21/h3-9,12H,10-11H2,1-2H3,(H,22,24)
InChIKeyPOFJYIWZPZFESG-UHFFFAOYSA-N
MW369.27 g/mol
LogP4.27
Rot. Bonds6

About 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(4-chlorophenyl)methyl]propanamide

2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(4-chlorophenyl)methyl]propanamide (PubChem CID 17475859) has the molecular formula C18H19Cl2FN2O and a molecular weight of 369.27 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(4-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(4-chlorophenyl)methyl]propanamide
PubChem CID17475859
Molecular FormulaC18H19Cl2FN2O
Molecular Weight369.27 g/mol
Exact Mass368.09
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(4-chlorophenyl)methyl]propanamide
SMILESCC(C(=O)NCc1ccc(Cl)cc1)N(C)Cc1c(F)cccc1Cl
InChIInChI=1S/C18H19Cl2FN2O/c1-12(18(24)22-10-13-6-8-14(19)9-7-13)23(2)11-15-16(20)4-3-5-17(15)21/h3-9,12H,10-11H2,1-2H3,(H,22,24)
InChIKeyPOFJYIWZPZFESG-UHFFFAOYSA-N
XLogP4.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 24506938
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(5-fluoro-2-methylphenyl)propanamide
CID 55524827
2-[(3-chlorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 18094062
(2S)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 31374774
(2R)-2-[(2-chlorophenyl)methyl-methylamino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 8541611
(2S)-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 2443670
N-[(2-chlorophenyl)methyl]-2-[(3-chlorophenyl)methyl-methylamino]propanamide
CID 18094060
2-[(3-fluorophenyl)methyl-methylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 18094165
(2S)-N-[(4-chlorophenyl)methyl]-2-(2-fluoro-N-methylsulfonylanilino)propanamide
CID 99131911
(2-chloro-6-fluorophenyl)methyl-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9197230
2-(2-chloro-6-fluorophenyl)-N-[[4-(chloromethyl)phenyl]methyl]acetamide
CID 107233350
N-benzyl-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propanamide
CID 18088306

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(4-chlorophenyl)methyl]propanamide?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(4-chlorophenyl)methyl]propanamide (CID 17475859) is 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(4-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(4-chlorophenyl)methyl]propanamide?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(4-chlorophenyl)methyl]propanamide is CC(C(=O)NCc1ccc(Cl)cc1)N(C)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(4-chlorophenyl)methyl]propanamide?
The InChIKey is POFJYIWZPZFESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2FN2O/c1-12(18(24)22-10-13-6-8-14(19)9-7-13)23(2)11-15-16(20)4-3-5-17(15)21/h3-9,12H,10-11H2,1-2H3,(H,22,24).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(4-chlorophenyl)methyl]propanamide?
2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(4-chlorophenyl)methyl]propanamide has a molecular weight of 369.27 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl-methylamino]-N-[(4-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 17475859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).