N-(5-chloro-2-cyanophenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide

C20H22ClN3O — CID 9028532

IUPACN-(5-chloro-2-cyanophenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
SMILESCC(C)c1ccc(CN(C)CC(=O)Nc2cc(Cl)ccc2C#N)cc1
InChIInChI=1S/C20H22ClN3O/c1-14(2)16-6-4-15(5-7-16)12-24(3)13-20(25)23-19-10-18(21)9-8-17(19)11-22/h4-10,14H,12-13H2,1-3H3,(H,23,25)
InChIKeyGSKWOSFUAVYJOO-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.41
Rot. Bonds6

About N-(5-chloro-2-cyanophenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide

N-(5-chloro-2-cyanophenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide (PubChem CID 9028532) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
PubChem CID9028532
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
SMILESCC(C)c1ccc(CN(C)CC(=O)Nc2cc(Cl)ccc2C#N)cc1
InChIInChI=1S/C20H22ClN3O/c1-14(2)16-6-4-15(5-7-16)12-24(3)13-20(25)23-19-10-18(21)9-8-17(19)11-22/h4-10,14H,12-13H2,1-3H3,(H,23,25)
InChIKeyGSKWOSFUAVYJOO-UHFFFAOYSA-N
XLogP4.41
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyanothiophen-2-yl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028916
N-(5-chloro-2-cyanophenyl)-2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetamide
CID 2699271
N-(2-methylphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028527
N-(5-chloro-2-cyanophenyl)-3-(ethylamino)butanamide
CID 55123280
2-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)acetamide
CID 2657318
[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133336
N-(5-chloro-2-cyanophenyl)-3-(propan-2-ylamino)propanamide
CID 54920661
N-(2-cyanoethyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 18124296
N-(5-chloro-2-fluorophenyl)-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 9221530
2-[(4-fluorophenyl)methyl-methylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 9251924
N-(5-chloro-2-cyanophenyl)-2-(4-sulfanylphenyl)acetamide
CID 107031090
N-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684093

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide (CID 9028532) is N-(5-chloro-2-cyanophenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide is CC(C)c1ccc(CN(C)CC(=O)Nc2cc(Cl)ccc2C#N)cc1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?
The InChIKey is GSKWOSFUAVYJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-14(2)16-6-4-15(5-7-16)12-24(3)13-20(25)23-19-10-18(21)9-8-17(19)11-22/h4-10,14H,12-13H2,1-3H3,(H,23,25).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide?
N-(5-chloro-2-cyanophenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide has a molecular weight of 355.87 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 9028532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).