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

C13H18ClNO2 — CID 115161877

IUPAC2-chloro-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide
SMILESCOc1ccc(N(C)C(=O)CCl)cc1C(C)C
InChIInChI=1S/C13H18ClNO2/c1-9(2)11-7-10(5-6-12(11)17-4)15(3)13(16)8-14/h5-7,9H,8H2,1-4H3
InChIKeyFIYVXTZWLQXFFO-UHFFFAOYSA-N
MW255.74 g/mol
LogP3.02
Rot. Bonds4

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

2-chloro-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide (PubChem CID 115161877) has the molecular formula C13H18ClNO2 and a molecular weight of 255.74 g/mol. Its IUPAC name is 2-chloro-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-chloro-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide
PubChem CID115161877
Molecular FormulaC13H18ClNO2
Molecular Weight255.74 g/mol
Exact Mass255.10
IUPAC Name2-chloro-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide
SMILESCOc1ccc(N(C)C(=O)CCl)cc1C(C)C
InChIInChI=1S/C13H18ClNO2/c1-9(2)11-7-10(5-6-12(11)17-4)15(3)13(16)8-14/h5-7,9H,8H2,1-4H3
InChIKeyFIYVXTZWLQXFFO-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.74
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide
CID 115139677
2-(4-methoxy-N-methyl-3-propan-2-ylanilino)acetamide
CID 115259761
2-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylacetamide
CID 115161900
N-(3-methoxy-4-propan-2-ylphenyl)-N,3,3-trimethylbutanamide
CID 21025600
2-chloro-N-(4-methoxyphenyl)-N-methylacetamide
CID 4714233
4-methoxy-N-(methoxymethyl)-N-methyl-3-propan-2-ylaniline
CID 115258339
(E)-4-(4-methoxy-N-methyl-3-propan-2-ylanilino)but-2-enoic acid
CID 115236974
N-(4-methoxy-3-propan-2-ylphenyl)-N,2-dimethylbutane-1,4-diamine
CID 115202419
2-chloro-N-(3,5-dimethoxyphenyl)-N-methylacetamide
CID 166414676
2-N-(4-methoxy-3-propan-2-ylphenyl)-2-N,3-dimethylbutane-1,2-diamine
CID 115138007
methyl 3-(3,4-dimethoxy-N-methylanilino)-3-oxopropanoate
CID 115174204
2-chloro-N-(1-methoxyethyl)-N-(2-methoxy-6-propan-2-ylphenyl)acetamide
CID 21299004

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide?
The IUPAC name of 2-chloro-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide (CID 115161877) is 2-chloro-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide.
What is the SMILES notation for 2-chloro-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide?
The canonical SMILES for 2-chloro-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide is COc1ccc(N(C)C(=O)CCl)cc1C(C)C.
What is the InChIKey of 2-chloro-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide?
The InChIKey is FIYVXTZWLQXFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9(2)11-7-10(5-6-12(11)17-4)15(3)13(16)8-14/h5-7,9H,8H2,1-4H3.
What are the key properties of 2-chloro-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide?
2-chloro-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide has a molecular weight of 255.74 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-methoxy-3-propan-2-ylphenyl)-N-methylacetamide is sourced from PubChem (CID 115161877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).