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

C12H16ClFN2O — CID 54924903

IUPAC2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide
SMILESCCC(C)NCC(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H16ClFN2O/c1-3-8(2)15-7-12(17)16-9-4-5-10(13)11(14)6-9/h4-6,8,15H,3,7H2,1-2H3,(H,16,17)
InChIKeyNJZYCJWMSNRNPB-UHFFFAOYSA-N
MW258.72 g/mol
LogP2.81
Rot. Bonds5

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

2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide (PubChem CID 54924903) has the molecular formula C12H16ClFN2O and a molecular weight of 258.72 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide
PubChem CID54924903
Molecular FormulaC12H16ClFN2O
Molecular Weight258.72 g/mol
Exact Mass258.09
IUPAC Name2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide
SMILESCCC(C)NCC(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H16ClFN2O/c1-3-8(2)15-7-12(17)16-9-4-5-10(13)11(14)6-9/h4-6,8,15H,3,7H2,1-2H3,(H,16,17)
InChIKeyNJZYCJWMSNRNPB-UHFFFAOYSA-N
XLogP2.81
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 60646948
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
2-[[(2S)-butan-2-yl]amino]-N-(4-fluorophenyl)acetamide
CID 28565900
N-[3-[[2-(butan-2-ylamino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54829100
4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide
CID 54925002
5-[[2-(butan-2-ylamino)acetyl]amino]-2-fluorobenzamide
CID 60853756
2-(butan-2-ylamino)-N-(3-chloro-4-cyanophenyl)acetamide
CID 54918086
3-(butan-2-ylamino)-N-(3-chloro-4-fluorophenyl)propanamide
CID 109013179
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
1-(butan-2-ylamino)-3-(4-chloro-3-fluorophenyl)propan-2-one
CID 107889925
2-[[(2S)-butan-2-yl]amino]-N-(3-methylphenyl)acetamide
CID 2386923
5-(4-chloro-3-fluoroanilino)-3-methyl-5-oxopentanoic acid
CID 62965409

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide (CID 54924903) is 2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide is CCC(C)NCC(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of 2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide?
The InChIKey is NJZYCJWMSNRNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFN2O/c1-3-8(2)15-7-12(17)16-9-4-5-10(13)11(14)6-9/h4-6,8,15H,3,7H2,1-2H3,(H,16,17).
What are the key properties of 2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide?
2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide has a molecular weight of 258.72 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide is sourced from PubChem (CID 54924903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).