2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide

C13H16ClN3O — CID 54918086

IUPAC2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide
SMILESCCC(C)NCC(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C13H16ClN3O/c1-3-9(2)16-8-13(18)17-11-5-4-10(7-15)12(14)6-11/h4-6,9,16H,3,8H2,1-2H3,(H,17,18)
InChIKeyFGEWEDZFNUKHGS-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.54
Rot. Bonds5

About 2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide

2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide (PubChem CID 54918086) has the molecular formula C13H16ClN3O and a molecular weight of 265.74 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide
PubChem CID54918086
Molecular FormulaC13H16ClN3O
Molecular Weight265.74 g/mol
Exact Mass265.10
IUPAC Name2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide
SMILESCCC(C)NCC(=O)Nc1ccc(C#N)c(Cl)c1
InChIInChI=1S/C13H16ClN3O/c1-3-9(2)16-8-13(18)17-11-5-4-10(7-15)12(14)6-11/h4-6,9,16H,3,8H2,1-2H3,(H,17,18)
InChIKeyFGEWEDZFNUKHGS-UHFFFAOYSA-N
XLogP2.54
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-cyanophenyl)-3-methyl-5-oxohexanamide
CID 144704139
4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide
CID 54925002
2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide
CID 54924903
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782364
2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 60646948
2-(5-acetamido-2-methylanilino)-N-(3-chloro-4-cyanophenyl)acetamide
CID 55893081
N-(3-chloro-4-cyanophenyl)-2-[[(4-methoxyphenyl)-(4-methylphenyl)methyl]amino]acetamide
CID 60587877
N-[3-[[2-(butan-2-ylamino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54829100
N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide
CID 54924873
1-(3-chloro-4-cyanophenyl)-3-ethylurea
CID 115569840
N-(3-chloro-4-cyanophenyl)-2-(4-hydroxybutan-2-ylsulfanyl)acetamide
CID 65417290

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide (CID 54918086) is 2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide is CCC(C)NCC(=O)Nc1ccc(C#N)c(Cl)c1.
What is the InChIKey of 2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide?
The InChIKey is FGEWEDZFNUKHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O/c1-3-9(2)16-8-13(18)17-11-5-4-10(7-15)12(14)6-11/h4-6,9,16H,3,8H2,1-2H3,(H,17,18).
What are the key properties of 2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide?
2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide has a molecular weight of 265.74 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide is sourced from PubChem (CID 54918086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).