2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide

C14H18ClNO3 — CID 7167702

IUPAC2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide
SMILESCC[C@@H](C)NC(=O)COc1ccc(Cl)cc1C(C)=O
InChIInChI=1S/C14H18ClNO3/c1-4-9(2)16-14(18)8-19-13-6-5-11(15)7-12(13)10(3)17/h5-7,9H,4,8H2,1-3H3,(H,16,18)/t9-/m1/s1
InChIKeyVTHZXCMTXFLXKS-SECBINFHSA-N
MW283.75 g/mol
LogP2.84
Rot. Bonds6

About 2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide

2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide (PubChem CID 7167702) has the molecular formula C14H18ClNO3 and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide
PubChem CID7167702
Molecular FormulaC14H18ClNO3
Molecular Weight283.75 g/mol
Exact Mass283.10
IUPAC Name2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide
SMILESCC[C@@H](C)NC(=O)COc1ccc(Cl)cc1C(C)=O
InChIInChI=1S/C14H18ClNO3/c1-4-9(2)16-14(18)8-19-13-6-5-11(15)7-12(13)10(3)17/h5-7,9H,4,8H2,1-3H3,(H,16,18)/t9-/m1/s1
InChIKeyVTHZXCMTXFLXKS-SECBINFHSA-N
XLogP2.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-[[(2S)-butan-2-yl]amino]-2-oxoethoxy]-5-chlorobenzoate
CID 94172138
2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorobenzamide
CID 42904332
N-butan-2-yl-2-(4-chloro-2-methylphenoxy)acetamide
CID 3558028
2-(2-acetyl-4-chlorophenoxy)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7167774
2-(2-acetyl-4-chlorophenoxy)-N-[(1S)-1-(4-ethylphenyl)ethyl]acetamide
CID 7167630
2-(2-amino-5-chlorophenoxy)-N-butan-2-ylacetamide
CID 62305337
N-butan-2-yl-2-[4-chloro-2-(ethylaminomethyl)phenoxy]acetamide
CID 43277958
2-[2-(2-aminobutyl)-4-chlorophenoxy]-N-butan-2-ylacetamide
CID 60908333
2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide
CID 60701053
N-butan-2-yl-2-(5-chloro-2-cyanophenoxy)acetamide
CID 80708257
[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 2621932
(E)-3-[2-[2-(butan-2-ylamino)-2-oxoethoxy]-5-chlorophenyl]prop-2-enoic acid
CID 43324972

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide?
The IUPAC name of 2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide (CID 7167702) is 2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide.
What is the SMILES notation for 2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide?
The canonical SMILES for 2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide is CC[C@@H](C)NC(=O)COc1ccc(Cl)cc1C(C)=O.
What is the InChIKey of 2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide?
The InChIKey is VTHZXCMTXFLXKS-SECBINFHSA-N. The full InChI is InChI=1S/C14H18ClNO3/c1-4-9(2)16-14(18)8-19-13-6-5-11(15)7-12(13)10(3)17/h5-7,9H,4,8H2,1-3H3,(H,16,18)/t9-/m1/s1.
What are the key properties of 2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide?
2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide has a molecular weight of 283.75 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetyl-4-chlorophenoxy)-N-[(2R)-butan-2-yl]acetamide is sourced from PubChem (CID 7167702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).