N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide

C22H20Cl2N2O — CID 9393022

IUPACN-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
SMILESCc1ccc([C@@H](NCC(=O)Nc2c(Cl)cccc2Cl)c2ccccc2)cc1
InChIInChI=1S/C22H20Cl2N2O/c1-15-10-12-17(13-11-15)21(16-6-3-2-4-7-16)25-14-20(27)26-22-18(23)8-5-9-19(22)24/h2-13,21,25H,14H2,1H3,(H,26,27)/t21-/m0/s1
InChIKeyFKUVYMDSEGPXOA-NRFANRHFSA-N
MW399.32 g/mol
LogP5.62
Rot. Bonds6

About N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide

N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide (PubChem CID 9393022) has the molecular formula C22H20Cl2N2O and a molecular weight of 399.32 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
PubChem CID9393022
Molecular FormulaC22H20Cl2N2O
Molecular Weight399.32 g/mol
Exact Mass398.10
IUPAC NameN-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
SMILESCc1ccc([C@@H](NCC(=O)Nc2c(Cl)cccc2Cl)c2ccccc2)cc1
InChIInChI=1S/C22H20Cl2N2O/c1-15-10-12-17(13-11-15)21(16-6-3-2-4-7-16)25-14-20(27)26-22-18(23)8-5-9-19(22)24/h2-13,21,25H,14H2,1H3,(H,26,27)/t21-/m0/s1
InChIKeyFKUVYMDSEGPXOA-NRFANRHFSA-N
XLogP5.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.32
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-difluorophenyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392689
N-(2-chloro-4,6-dimethylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9391703
N-[2,6-di(propan-2-yl)phenyl]-2-[[(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 19874968
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392402
N-(4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392626
N-(2-chloro-4-methylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392747
N-(2,6-dichlorophenyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]acetamide
CID 8696128
2-(benzhydrylamino)-N-(2,6-diethylphenyl)acetamide
CID 2620925
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9392246
N-(3-fluorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393342
2-[[2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetyl]amino]acetamide
CID 8641426
N-(2-acetylphenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393487

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide (CID 9393022) is N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide is Cc1ccc([C@@H](NCC(=O)Nc2c(Cl)cccc2Cl)c2ccccc2)cc1.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
The InChIKey is FKUVYMDSEGPXOA-NRFANRHFSA-N. The full InChI is InChI=1S/C22H20Cl2N2O/c1-15-10-12-17(13-11-15)21(16-6-3-2-4-7-16)25-14-20(27)26-22-18(23)8-5-9-19(22)24/h2-13,21,25H,14H2,1H3,(H,26,27)/t21-/m0/s1.
What are the key properties of N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide?
N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide has a molecular weight of 399.32 g/mol, XLogP of 5.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide is sourced from PubChem (CID 9393022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).