N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide

C13H18ClNO2 — CID 3558028

IUPACN-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCCC(C)NC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C13H18ClNO2/c1-4-10(3)15-13(16)8-17-12-6-5-11(14)7-9(12)2/h5-7,10H,4,8H2,1-3H3,(H,15,16)
InChIKeyFPNUDIQNENAFEN-UHFFFAOYSA-N
MW255.74 g/mol
LogP2.94
Rot. Bonds5

About N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide

N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide (PubChem CID 3558028) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
PubChem CID3558028
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC NameN-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
SMILESCCC(C)NC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C13H18ClNO2/c1-4-10(3)15-13(16)8-17-12-6-5-11(14)7-9(12)2/h5-7,10H,4,8H2,1-3H3,(H,15,16)
InChIKeyFPNUDIQNENAFEN-UHFFFAOYSA-N
XLogP2.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-pentan-3-ylacetamide
CID 112779196
2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide
CID 7167702
2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 42904332
methyl 2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-5-chlorobenzoate
CID 94172138
2-(2-amino-5-chlorophenoxy)-N-butan-2-ylacetamide
CID 62305337
N-butan-2-yl-2-[4-chloro-2-(ethylaminomethyl)phenoxy]acetamide
CID 43277958
methyl 2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-3-methylbutanoate
CID 43404158
2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide
CID 60908333
2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-N-propan-2-ylacetamide
CID 9299910
(2S)-2-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]butanedioic acid
CID 112732976
2-(4-chloro-2-methylphenoxy)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 16544805
N-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80708257

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide?
The IUPAC name of N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide (CID 3558028) is N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide?
The canonical SMILES for N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide is CCC(C)NC(=O)COc1ccc(Cl)cc1C.
What is the InChIKey of N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide?
The InChIKey is FPNUDIQNENAFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-4-10(3)15-13(16)8-17-12-6-5-11(14)7-9(12)2/h5-7,10H,4,8H2,1-3H3,(H,15,16).
What are the key properties of N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide?
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide has a molecular weight of 255.74 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide is sourced from PubChem (CID 3558028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).