2-[[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide

C25H25F2N3O2 — CID 40939435

IUPAC2-[[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)CN[C@@H](C)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C25H25F2N3O2/c1-16-7-9-18(10-8-16)14-29-25(32)20-5-3-4-6-23(20)30-24(31)15-28-17(2)19-11-12-21(26)22(27)13-19/h3-13,17,28H,14-15H2,1-2H3,(H,29,32)(H,30,31)/t17-/m0/s1
InChIKeySSNRPVXEYWQFEG-KRWDZBQOSA-N
MW437.49 g/mol
LogP4.49
Rot. Bonds8

About 2-[[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide

2-[[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide (PubChem CID 40939435) has the molecular formula C25H25F2N3O2 and a molecular weight of 437.49 g/mol. Its IUPAC name is 2-[[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-[[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
PubChem CID40939435
Molecular FormulaC25H25F2N3O2
Molecular Weight437.49 g/mol
Exact Mass437.19
IUPAC Name2-[[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
SMILESCc1ccc(CNC(=O)c2ccccc2NC(=O)CN[C@@H](C)c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C25H25F2N3O2/c1-16-7-9-18(10-8-16)14-29-25(32)20-5-3-4-6-23(20)30-24(31)15-28-17(2)19-11-12-21(26)22(27)13-19/h3-13,17,28H,14-15H2,1-2H3,(H,29,32)(H,30,31)/t17-/m0/s1
InChIKeySSNRPVXEYWQFEG-KRWDZBQOSA-N
XLogP4.49
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide with MolForge

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Related Compounds

N-(2-benzoylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376956
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-naphthalen-1-ylacetamide
CID 9376373
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2-methylsulfanylphenyl)acetamide
CID 9376746
N-[(4-chlorophenyl)methyl]-2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9376233
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(2,4-dimethylphenyl)acetamide
CID 9376646
N-(2-benzylphenyl)-2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 9377065
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]-N-[(2-methylphenyl)methyl]acetamide
CID 8638816
2-[[2-(3-fluoro-4-methoxyanilino)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55897755
2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]-N-(4-fluorophenyl)acetamide
CID 9376532
2-[[2-(4-fluorophenoxy)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55327835
2-[1-(3,4-difluorophenyl)ethylamino]-N-propan-2-ylacetamide
CID 43398099
N-[(4-methylphenyl)methyl]-2-[[2-(trifluoromethylsulfanyl)acetyl]amino]benzamide
CID 55668082

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
The IUPAC name of 2-[[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide (CID 40939435) is 2-[[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide.
What is the SMILES notation for 2-[[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
The canonical SMILES for 2-[[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide is Cc1ccc(CNC(=O)c2ccccc2NC(=O)CN[C@@H](C)c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 2-[[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
The InChIKey is SSNRPVXEYWQFEG-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H25F2N3O2/c1-16-7-9-18(10-8-16)14-29-25(32)20-5-3-4-6-23(20)30-24(31)15-28-17(2)19-11-12-21(26)22(27)13-19/h3-13,17,28H,14-15H2,1-2H3,(H,29,32)(H,30,31)/t17-/m0/s1.
What are the key properties of 2-[[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide?
2-[[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide has a molecular weight of 437.49 g/mol, XLogP of 4.49, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[(1S)-1-(3,4-difluorophenyl)ethyl]amino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide is sourced from PubChem (CID 40939435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).