2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide

C20H23F2N3O3 — CID 8688399

IUPAC2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CN[C@@H](C)c2ccc(F)cc2F)c1
InChIInChI=1S/C20H23F2N3O3/c1-13(17-8-7-14(21)9-18(17)22)23-11-20(27)25(2)12-19(26)24-15-5-4-6-16(10-15)28-3/h4-10,13,23H,11-12H2,1-3H3,(H,24,26)/t13-/m0/s1
InChIKeyHKZFYOPWDCEKPB-ZDUSSCGKSA-N
MW391.42 g/mol
LogP2.72
Rot. Bonds8

About 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide

2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide (PubChem CID 8688399) has the molecular formula C20H23F2N3O3 and a molecular weight of 391.42 g/mol. Its IUPAC name is 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
PubChem CID8688399
Molecular FormulaC20H23F2N3O3
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC Name2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)CN[C@@H](C)c2ccc(F)cc2F)c1
InChIInChI=1S/C20H23F2N3O3/c1-13(17-8-7-14(21)9-18(17)22)23-11-20(27)25(2)12-19(26)24-15-5-4-6-16(10-15)28-3/h4-10,13,23H,11-12H2,1-3H3,(H,24,26)/t13-/m0/s1
InChIKeyHKZFYOPWDCEKPB-ZDUSSCGKSA-N
XLogP2.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R)-1-(2,4-difluorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9369550
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-(3-methoxyanilino)-2-oxoethyl]azanium
CID 9369546
2-[[2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 8914073
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-phenylacetamide
CID 9369815
N-(3-chlorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369862
2-(4-fluorophenoxy)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylpropanamide
CID 42990044
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3,3-diphenylpropanamide
CID 2594494
methyl N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylcarbamate
CID 47129052
N-(3-cyanophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369777
2-[(3-fluorophenyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 8909173
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-(3-fluoro-4-methylphenyl)acetamide
CID 9370392
2-(2,5-difluoroanilino)-N-(3-methoxyphenyl)acetamide
CID 28574559

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The IUPAC name of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide (CID 8688399) is 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide.
What is the SMILES notation for 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The canonical SMILES for 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide is COc1cccc(NC(=O)CN(C)C(=O)CN[C@@H](C)c2ccc(F)cc2F)c1.
What is the InChIKey of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
The InChIKey is HKZFYOPWDCEKPB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H23F2N3O3/c1-13(17-8-7-14(21)9-18(17)22)23-11-20(27)25(2)12-19(26)24-15-5-4-6-16(10-15)28-3/h4-10,13,23H,11-12H2,1-3H3,(H,24,26)/t13-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide?
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide has a molecular weight of 391.42 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylacetamide is sourced from PubChem (CID 8688399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).