N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide

C19H21ClF2N2O2 — CID 9023731

IUPACN-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
SMILESC[C@@H](NC(=O)CN(C)Cc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClF2N2O2/c1-13(15-5-7-16(20)8-6-15)23-18(25)12-24(2)11-14-3-9-17(10-4-14)26-19(21)22/h3-10,13,19H,11-12H2,1-2H3,(H,23,25)/t13-/m1/s1
InChIKeyQIYRFFCFFHVJTD-CYBMUJFWSA-N
MW382.84 g/mol
LogP4.25
Rot. Bonds8

About N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide

N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide (PubChem CID 9023731) has the molecular formula C19H21ClF2N2O2 and a molecular weight of 382.84 g/mol. Its IUPAC name is N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
PubChem CID9023731
Molecular FormulaC19H21ClF2N2O2
Molecular Weight382.84 g/mol
Exact Mass382.13
IUPAC NameN-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
SMILESC[C@@H](NC(=O)CN(C)Cc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClF2N2O2/c1-13(15-5-7-16(20)8-6-15)23-18(25)12-24(2)11-14-3-9-17(10-4-14)26-19(21)22/h3-10,13,19H,11-12H2,1-2H3,(H,23,25)/t13-/m1/s1
InChIKeyQIYRFFCFFHVJTD-CYBMUJFWSA-N
XLogP4.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 9024530
2-[(4-chlorophenyl)methyl-methylamino]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 8540898
2-[(4-chlorophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 78787978
2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 78808643
2-(4-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 8751569
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(ethylcarbamoyl)acetamide
CID 9023545
2-[benzyl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 18078396
N-(cyclopropylmethyl)-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide
CID 134038489
N-[1-(4-bromophenyl)ethyl]-2-[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]acetamide
CID 46801665
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(4-iodophenyl)acetamide
CID 27218169
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(3,5-dimethylphenyl)acetamide
CID 9023931
N-[(1S)-1-(2-bromophenyl)ethyl]-2-[(4-chlorophenyl)methyl-methylamino]acetamide
CID 8540444

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide?
The IUPAC name of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide (CID 9023731) is N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide?
The canonical SMILES for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide is C[C@@H](NC(=O)CN(C)Cc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide?
The InChIKey is QIYRFFCFFHVJTD-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21ClF2N2O2/c1-13(15-5-7-16(20)8-6-15)23-18(25)12-24(2)11-14-3-9-17(10-4-14)26-19(21)22/h3-10,13,19H,11-12H2,1-2H3,(H,23,25)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide?
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide has a molecular weight of 382.84 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-chlorophenyl)ethyl]-2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]acetamide is sourced from PubChem (CID 9023731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).