2-chloro-N-[2-(2,3,4-trimethylphenyl)propan-2-yl]acetamide

C14H20ClNO — CID 116829580

IUPAC2-chloro-N-[2-(2,3,4-trimethylphenyl)propan-2-yl]acetamide
SMILESCc1ccc(C(C)(C)NC(=O)CCl)c(C)c1C
InChIInChI=1S/C14H20ClNO/c1-9-6-7-12(11(3)10(9)2)14(4,5)16-13(17)8-15/h6-7H,8H2,1-5H3,(H,16,17)
InChIKeyYGRPMCWSDKJAOA-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.20
Rot. Bonds3

About 2-chloro-N-[2-(2,3,4-trimethylphenyl)propan-2-yl]acetamide

2-chloro-N-[2-(2,3,4-trimethylphenyl)propan-2-yl]acetamide (PubChem CID 116829580) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-chloro-N-[2-(2,3,4-trimethylphenyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(2,3,4-trimethylphenyl)propan-2-yl]acetamide
PubChem CID116829580
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-chloro-N-[2-(2,3,4-trimethylphenyl)propan-2-yl]acetamide
SMILESCc1ccc(C(C)(C)NC(=O)CCl)c(C)c1C
InChIInChI=1S/C14H20ClNO/c1-9-6-7-12(11(3)10(9)2)14(4,5)16-13(17)8-15/h6-7H,8H2,1-5H3,(H,16,17)
InChIKeyYGRPMCWSDKJAOA-UHFFFAOYSA-N
XLogP3.20
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(6-bromo-2-methyl-3-pyridinyl)propan-2-yl]-2-chloroacetamide
CID 169150809
N-[2-(4-bromo-2-fluorophenyl)propan-2-yl]-2-chloroacetamide
CID 166431442
2-chloro-N-[2-(1-methylindol-3-yl)propan-2-yl]acetamide
CID 116829549
2-methyl-2-(2,3,4-trimethylphenyl)propanamide
CID 139899839
1-tert-butyl-2,3,4-trimethylbenzene
CID 19367867
N-(2-chloroethyl)-2-methyl-2-(2,3,4-trimethylphenyl)propan-1-amine
CID 115215348
N-[2-(1,3-benzoxazol-2-yl)propan-2-yl]-2-chloroacetamide
CID 166429094
[[2-methyl-2-(2,3,4-trimethylphenyl)propyl]amino]methanethiol
CID 115228629
3-methyl-3-(2,3,4-trimethylphenyl)butan-1-amine
CID 116962225
2-(2,3,4-trimethylphenyl)propane-2-sulfonyl chloride
CID 116866416
2-chloro-N-(2-methyl-1-phenylpropan-2-yl)acetamide
CID 2784737
N-[2-(3-bromo-1,2-oxazol-5-yl)propan-2-yl]-2-chloroacetamide
CID 166419720

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(2,3,4-trimethylphenyl)propan-2-yl]acetamide?
The IUPAC name of 2-chloro-N-[2-(2,3,4-trimethylphenyl)propan-2-yl]acetamide (CID 116829580) is 2-chloro-N-[2-(2,3,4-trimethylphenyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(2,3,4-trimethylphenyl)propan-2-yl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(2,3,4-trimethylphenyl)propan-2-yl]acetamide is Cc1ccc(C(C)(C)NC(=O)CCl)c(C)c1C.
What is the InChIKey of 2-chloro-N-[2-(2,3,4-trimethylphenyl)propan-2-yl]acetamide?
The InChIKey is YGRPMCWSDKJAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-9-6-7-12(11(3)10(9)2)14(4,5)16-13(17)8-15/h6-7H,8H2,1-5H3,(H,16,17).
What are the key properties of 2-chloro-N-[2-(2,3,4-trimethylphenyl)propan-2-yl]acetamide?
2-chloro-N-[2-(2,3,4-trimethylphenyl)propan-2-yl]acetamide has a molecular weight of 253.77 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(2,3,4-trimethylphenyl)propan-2-yl]acetamide is sourced from PubChem (CID 116829580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).