N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide

C17H17ClF2N2O — CID 9370342

IUPACN-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN[C@H](C)c1ccc(F)cc1F
InChIInChI=1S/C17H17ClF2N2O/c1-10-7-12(18)3-6-16(10)22-17(23)9-21-11(2)14-5-4-13(19)8-15(14)20/h3-8,11,21H,9H2,1-2H3,(H,22,23)/t11-/m1/s1
InChIKeyCWWAKXILZSVMEM-LLVKDONJSA-N
MW338.79 g/mol
LogP4.22
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide

N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide (PubChem CID 9370342) has the molecular formula C17H17ClF2N2O and a molecular weight of 338.79 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
PubChem CID9370342
Molecular FormulaC17H17ClF2N2O
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC NameN-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
SMILESCc1cc(Cl)ccc1NC(=O)CN[C@H](C)c1ccc(F)cc1F
InChIInChI=1S/C17H17ClF2N2O/c1-10-7-12(18)3-6-16(10)22-17(23)9-21-11(2)14-5-4-13(19)8-15(14)20/h3-8,11,21H,9H2,1-2H3,(H,22,23)/t11-/m1/s1
InChIKeyCWWAKXILZSVMEM-LLVKDONJSA-N
XLogP4.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methylphenyl)acetamide
CID 9369627
N-(3-chlorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369862
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-fluoro-4-methylphenyl)acetamide
CID 9370429
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)acetamide
CID 9369894
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 9369354
N-(4-bromo-2-fluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369741
N-(4-bromo-2-fluorophenyl)-2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369736
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9370392
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369268
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 9369939
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide
CID 9369815
N-(2,6-difluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369757

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide (CID 9370342) is N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide is Cc1cc(Cl)ccc1NC(=O)CN[C@H](C)c1ccc(F)cc1F.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide?
The InChIKey is CWWAKXILZSVMEM-LLVKDONJSA-N. The full InChI is InChI=1S/C17H17ClF2N2O/c1-10-7-12(18)3-6-16(10)22-17(23)9-21-11(2)14-5-4-13(19)8-15(14)20/h3-8,11,21H,9H2,1-2H3,(H,22,23)/t11-/m1/s1.
What are the key properties of N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide?
N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide has a molecular weight of 338.79 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide is sourced from PubChem (CID 9370342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).