N-(5-chloro-2-cyanophenyl)-2-(2-propan-2-yloxyanilino)acetamide

C18H18ClN3O2 — CID 87029057

IUPACN-(5-chloro-2-cyanophenyl)-2-(2-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1ccccc1NCC(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C18H18ClN3O2/c1-12(2)24-17-6-4-3-5-15(17)21-11-18(23)22-16-9-14(19)8-7-13(16)10-20/h3-9,12,21H,11H2,1-2H3,(H,22,23)
InChIKeyOPPDCOXITRWVFX-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.05
Rot. Bonds6

About N-(5-chloro-2-cyanophenyl)-2-(2-propan-2-yloxyanilino)acetamide

N-(5-chloro-2-cyanophenyl)-2-(2-propan-2-yloxyanilino)acetamide (PubChem CID 87029057) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-2-(2-propan-2-yloxyanilino)acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-2-(2-propan-2-yloxyanilino)acetamide
PubChem CID87029057
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC NameN-(5-chloro-2-cyanophenyl)-2-(2-propan-2-yloxyanilino)acetamide
SMILESCC(C)Oc1ccccc1NCC(=O)Nc1cc(Cl)ccc1C#N
InChIInChI=1S/C18H18ClN3O2/c1-12(2)24-17-6-4-3-5-15(17)21-11-18(23)22-16-9-14(19)8-7-13(16)10-20/h3-9,12,21H,11H2,1-2H3,(H,22,23)
InChIKeyOPPDCOXITRWVFX-UHFFFAOYSA-N
XLogP4.05
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-cyanophenyl)-2-(5-chloro-2-methylanilino)acetamide
CID 9102944
2-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-N-phenylbenzamide
CID 9105872
N-(5-chloro-2-cyanophenyl)-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 2684093
4-chloro-2-[(2-propan-2-yloxyphenyl)methylamino]benzonitrile
CID 43780520
N-(5-chloro-2-cyanophenyl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131592
2-(3-chloro-2-methylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54812884
4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
CID 112999004
3-[[2-(5-chloro-2-cyanoanilino)-2-oxoethyl]amino]-4-methoxy-N-methylbenzamide
CID 87029453
2-(5-chloro-2-cyanoanilino)-N-(4-methylphenyl)acetamide
CID 64918984
N-(5-chloro-2-cyanophenyl)-2-(2-methylphenyl)acetamide
CID 60645682
2-(naphthalen-1-ylamino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 54809130
N-(5-chloro-2-cyanophenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 60537508

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-2-(2-propan-2-yloxyanilino)acetamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-2-(2-propan-2-yloxyanilino)acetamide (CID 87029057) is N-(5-chloro-2-cyanophenyl)-2-(2-propan-2-yloxyanilino)acetamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-2-(2-propan-2-yloxyanilino)acetamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-2-(2-propan-2-yloxyanilino)acetamide is CC(C)Oc1ccccc1NCC(=O)Nc1cc(Cl)ccc1C#N.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-2-(2-propan-2-yloxyanilino)acetamide?
The InChIKey is OPPDCOXITRWVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-12(2)24-17-6-4-3-5-15(17)21-11-18(23)22-16-9-14(19)8-7-13(16)10-20/h3-9,12,21H,11H2,1-2H3,(H,22,23).
What are the key properties of N-(5-chloro-2-cyanophenyl)-2-(2-propan-2-yloxyanilino)acetamide?
N-(5-chloro-2-cyanophenyl)-2-(2-propan-2-yloxyanilino)acetamide has a molecular weight of 343.81 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-2-(2-propan-2-yloxyanilino)acetamide is sourced from PubChem (CID 87029057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).