2-(3-chloro-2-methylanilino)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide

C17H17ClF2N2O — CID 31666442

IUPAC2-(3-chloro-2-methylanilino)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
SMILESCc1c(Cl)cccc1NCC(=O)N[C@@H](C)c1ccc(F)cc1F
InChIInChI=1S/C17H17ClF2N2O/c1-10-14(18)4-3-5-16(10)21-9-17(23)22-11(2)13-7-6-12(19)8-15(13)20/h3-8,11,21H,9H2,1-2H3,(H,22,23)/t11-/m0/s1
InChIKeyRCWUZTLAPHASGP-NSHDSACASA-N
MW338.79 g/mol
LogP4.22
Rot. Bonds5

About 2-(3-chloro-2-methylanilino)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide

2-(3-chloro-2-methylanilino)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide (PubChem CID 31666442) has the molecular formula C17H17ClF2N2O and a molecular weight of 338.79 g/mol. Its IUPAC name is 2-(3-chloro-2-methylanilino)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-2-methylanilino)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
PubChem CID31666442
Molecular FormulaC17H17ClF2N2O
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Name2-(3-chloro-2-methylanilino)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide
SMILESCc1c(Cl)cccc1NCC(=O)N[C@@H](C)c1ccc(F)cc1F
InChIInChI=1S/C17H17ClF2N2O/c1-10-14(18)4-3-5-16(10)21-9-17(23)22-11(2)13-7-6-12(19)8-15(13)20/h3-8,11,21H,9H2,1-2H3,(H,22,23)/t11-/m0/s1
InChIKeyRCWUZTLAPHASGP-NSHDSACASA-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

N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2,3,4-trifluoroanilino)acetamide
CID 31675054
2-(3-acetamido-2-methylanilino)-N-[1-(2-chlorophenyl)ethyl]acetamide
CID 86930913
2-(tert-butylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 31311994
2-(3-chloro-2-methylanilino)-N-(2-fluorophenyl)acetamide
CID 9099260
2-(benzhydrylamino)-N-[(1R)-1-(2,4-difluorophenyl)ethyl]acetamide
CID 8596226
ethyl N-[3-[[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]amino]-2-methylphenyl]carbamate
CID 86824957
N-(3-chloro-2-methylphenyl)-2-(2-fluoroanilino)acetamide
CID 2604427
N-(tert-butylcarbamoyl)-2-(3-chloro-2-methylanilino)acetamide
CID 26507318
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
N-[1-(2,4-difluorophenyl)ethyl]-2-propan-2-ylsulfonylacetamide
CID 87023939
[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 8909021

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylanilino)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(3-chloro-2-methylanilino)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide (CID 31666442) is 2-(3-chloro-2-methylanilino)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3-chloro-2-methylanilino)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(3-chloro-2-methylanilino)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide is Cc1c(Cl)cccc1NCC(=O)N[C@@H](C)c1ccc(F)cc1F.
What is the InChIKey of 2-(3-chloro-2-methylanilino)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide?
The InChIKey is RCWUZTLAPHASGP-NSHDSACASA-N. The full InChI is InChI=1S/C17H17ClF2N2O/c1-10-14(18)4-3-5-16(10)21-9-17(23)22-11(2)13-7-6-12(19)8-15(13)20/h3-8,11,21H,9H2,1-2H3,(H,22,23)/t11-/m0/s1.
What are the key properties of 2-(3-chloro-2-methylanilino)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide?
2-(3-chloro-2-methylanilino)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]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 2-(3-chloro-2-methylanilino)-N-[(1S)-1-(2,4-difluorophenyl)ethyl]acetamide is sourced from PubChem (CID 31666442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).