N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide

C16H13Cl2N3O — CID 9102944

IUPACN-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide
SMILESCc1ccc(Cl)cc1NCC(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C16H13Cl2N3O/c1-10-2-4-12(17)6-14(10)20-9-16(22)21-15-7-13(18)5-3-11(15)8-19/h2-7,20H,9H2,1H3,(H,21,22)
InChIKeyQHXCNFVIPCLHNW-UHFFFAOYSA-N
MW334.21 g/mol
LogP4.22
Rot. Bonds4

About N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide

N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide (PubChem CID 9102944) has the molecular formula C16H13Cl2N3O and a molecular weight of 334.21 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide
PubChem CID9102944
Molecular FormulaC16H13Cl2N3O
Molecular Weight334.21 g/mol
Exact Mass333.04
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide
SMILESCc1ccc(Cl)cc1NCC(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C16H13Cl2N3O/c1-10-2-4-12(17)6-14(10)20-9-16(22)21-15-7-13(18)5-3-11(15)8-19/h2-7,20H,9H2,1H3,(H,21,22)
InChIKeyQHXCNFVIPCLHNW-UHFFFAOYSA-N
XLogP4.22
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-2-cyanoanilino)-N-(4-methylphenyl)acetamide
CID 64918984
N-(5-chloro-2-cyanophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 60537508
N-(5-chloro-2-cyanophenyl)-2-(2-propan-2-yloxyanilino)acetamide
CID 87029057
2-(5-chloro-2-cyanoanilino)-N-ethylacetamide
CID 63081915
N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide
CID 60645682
2-(4-chloro-2-methylanilino)-N-(5-chloro-2-methylphenyl)acetamide
CID 26507073
2-(5-chloro-2-methylanilino)-N-(2-chlorophenyl)acetamide
CID 9102932
2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105872
3-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide
CID 87029453
N-(5-chloro-2-cyanophenyl)-2-(cyclopropylamino)acetamide
CID 54917775
methyl 3-[[2-(5-chloro-2-methylanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 9104322
2-(5-chloro-2-cyanoanilino)-N-(3-methylbutyl)acetamide
CID 64919197

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide (CID 9102944) is N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide is Cc1ccc(Cl)cc1NCC(=O)Nc1cc(Cl)ccc1C#N.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide?
The InChIKey is QHXCNFVIPCLHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N3O/c1-10-2-4-12(17)6-14(10)20-9-16(22)21-15-7-13(18)5-3-11(15)8-19/h2-7,20H,9H2,1H3,(H,21,22).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide?
N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide has a molecular weight of 334.21 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide is sourced from PubChem (CID 9102944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).