2-chloro-N-(3-methoxy-4-propan-2-ylphenyl)acetamide

C12H16ClNO2 — CID 166414805

IUPAC2-chloro-N-(3-methoxy-4-propan-2-ylphenyl)acetamide
SMILESCOc1cc(NC(=O)CCl)ccc1C(C)C
InChIInChI=1S/C12H16ClNO2/c1-8(2)10-5-4-9(6-11(10)16-3)14-12(15)7-13/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeySLRYYJKGYMRHRL-UHFFFAOYSA-N
MW241.72 g/mol
LogP3.00
Rot. Bonds4

About 2-chloro-N-(3-methoxy-4-propan-2-ylphenyl)acetamide

2-chloro-N-(3-methoxy-4-propan-2-ylphenyl)acetamide (PubChem CID 166414805) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-chloro-N-(3-methoxy-4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3-methoxy-4-propan-2-ylphenyl)acetamide
PubChem CID166414805
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name2-chloro-N-(3-methoxy-4-propan-2-ylphenyl)acetamide
SMILESCOc1cc(NC(=O)CCl)ccc1C(C)C
InChIInChI=1S/C12H16ClNO2/c1-8(2)10-5-4-9(6-11(10)16-3)14-12(15)7-13/h4-6,8H,7H2,1-3H3,(H,14,15)
InChIKeySLRYYJKGYMRHRL-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(4-methoxy-3-propan-2-ylanilino)-3-oxopropanoate
CID 115174107
2-chloroacetyl chloride;2-chloro-N-(4-chloro-3-methoxyphenyl)acetamide
CID 143179500
3-cyano-N-(4-methoxy-3-propan-2-ylphenyl)propanamide
CID 115173483
(4-methoxy-3-propan-2-ylphenyl)carbamothioic S-acid
CID 115169665
N,N'-bis(3,4-dimethoxyphenyl)propanediamide
CID 21232287
methyl 2-(4-methoxy-3-propan-2-ylanilino)-2-oxoacetate
CID 115142148
4-[[2-(4-methoxy-3-propan-2-ylphenyl)acetyl]amino]benzamide
CID 110767597
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782633
2-chloro-N-[4-(2-methoxyphenoxy)phenyl]acetamide
CID 39398752
ethyl 2-(4-methoxy-3-propan-2-ylanilino)-2-oxoacetate
CID 115141811
4-amino-N-(4-chloro-3-methoxyphenyl)pentanamide
CID 107621685
N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide
CID 109036911

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-methoxy-4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(3-methoxy-4-propan-2-ylphenyl)acetamide (CID 166414805) is 2-chloro-N-(3-methoxy-4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(3-methoxy-4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(3-methoxy-4-propan-2-ylphenyl)acetamide is COc1cc(NC(=O)CCl)ccc1C(C)C.
What is the InChIKey of 2-chloro-N-(3-methoxy-4-propan-2-ylphenyl)acetamide?
The InChIKey is SLRYYJKGYMRHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c1-8(2)10-5-4-9(6-11(10)16-3)14-12(15)7-13/h4-6,8H,7H2,1-3H3,(H,14,15).
What are the key properties of 2-chloro-N-(3-methoxy-4-propan-2-ylphenyl)acetamide?
2-chloro-N-(3-methoxy-4-propan-2-ylphenyl)acetamide has a molecular weight of 241.72 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-methoxy-4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 166414805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).