2-(5-acetamido-2-methylanilino)-N-(3-chloro-4-cyanophenyl)acetamide

C18H17ClN4O2 — CID 55893081

IUPAC2-(5-acetamido-2-methylanilino)-N-(3-chloro-4-cyanophenyl)acetamide
SMILESCC(=O)Nc1ccc(C)c(NCC(=O)Nc2ccc(C#N)c(Cl)c2)c1
InChIInChI=1S/C18H17ClN4O2/c1-11-3-5-15(22-12(2)24)8-17(11)21-10-18(25)23-14-6-4-13(9-20)16(19)7-14/h3-8,21H,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySVENWGNBNRAYBZ-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.53
Rot. Bonds5

About 2-(5-acetamido-2-methylanilino)-N-(3-chloro-4-cyanophenyl)acetamide

2-(5-acetamido-2-methylanilino)-N-(3-chloro-4-cyanophenyl)acetamide (PubChem CID 55893081) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-(5-acetamido-2-methylanilino)-N-(3-chloro-4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(5-acetamido-2-methylanilino)-N-(3-chloro-4-cyanophenyl)acetamide
PubChem CID55893081
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name2-(5-acetamido-2-methylanilino)-N-(3-chloro-4-cyanophenyl)acetamide
SMILESCC(=O)Nc1ccc(C)c(NCC(=O)Nc2ccc(C#N)c(Cl)c2)c1
InChIInChI=1S/C18H17ClN4O2/c1-11-3-5-15(22-12(2)24)8-17(11)21-10-18(25)23-14-6-4-13(9-20)16(19)7-14/h3-8,21H,10H2,1-2H3,(H,22,24)(H,23,25)
InChIKeySVENWGNBNRAYBZ-UHFFFAOYSA-N
XLogP3.53
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-cyanophenyl)-2-[5-(dimethylsulfamoyl)-2-methylanilino]acetamide
CID 9100613
N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide
CID 9102944
2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide
CID 54918086
N-(3-cyano-4-methylphenyl)acetamide
CID 130011949
N-(3-chloro-4-cyanophenyl)-2-(2-phenylsulfanylanilino)acetamide
CID 18278497
N-(3-chloro-4-cyanophenyl)-2-(2-pyrazol-1-ylanilino)acetamide
CID 55728999
N-(3-chloro-4-cyanophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 2103781
2-(3-chloro-4-cyanoanilino)-N-propylacetamide
CID 43346078
N-(3-chloro-4-cyanophenyl)-2-[4-(difluoromethoxy)anilino]acetamide
CID 36586008
N-(3-chloro-4-cyanophenyl)-2-(3,4-dichlorophenyl)acetamide
CID 2448530
4-[[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]amino]-N-(4-methoxyphenyl)benzamide
CID 4879754
N-(3-chloro-4-cyanophenyl)-3-methyl-5-oxohexanamide
CID 144704139

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetamido-2-methylanilino)-N-(3-chloro-4-cyanophenyl)acetamide?
The IUPAC name of 2-(5-acetamido-2-methylanilino)-N-(3-chloro-4-cyanophenyl)acetamide (CID 55893081) is 2-(5-acetamido-2-methylanilino)-N-(3-chloro-4-cyanophenyl)acetamide.
What is the SMILES notation for 2-(5-acetamido-2-methylanilino)-N-(3-chloro-4-cyanophenyl)acetamide?
The canonical SMILES for 2-(5-acetamido-2-methylanilino)-N-(3-chloro-4-cyanophenyl)acetamide is CC(=O)Nc1ccc(C)c(NCC(=O)Nc2ccc(C#N)c(Cl)c2)c1.
What is the InChIKey of 2-(5-acetamido-2-methylanilino)-N-(3-chloro-4-cyanophenyl)acetamide?
The InChIKey is SVENWGNBNRAYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-11-3-5-15(22-12(2)24)8-17(11)21-10-18(25)23-14-6-4-13(9-20)16(19)7-14/h3-8,21H,10H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 2-(5-acetamido-2-methylanilino)-N-(3-chloro-4-cyanophenyl)acetamide?
2-(5-acetamido-2-methylanilino)-N-(3-chloro-4-cyanophenyl)acetamide has a molecular weight of 356.81 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetamido-2-methylanilino)-N-(3-chloro-4-cyanophenyl)acetamide is sourced from PubChem (CID 55893081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).