N-[2-(4-butan-2-ylphenyl)ethyl]-2-chloroacetamide

C14H20ClNO — CID 115162107

IUPACN-[2-(4-butan-2-ylphenyl)ethyl]-2-chloroacetamide
SMILESCCC(C)c1ccc(CCNC(=O)CCl)cc1
InChIInChI=1S/C14H20ClNO/c1-3-11(2)13-6-4-12(5-7-13)8-9-16-14(17)10-15/h4-7,11H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyGUYDULOPSVRLGI-UHFFFAOYSA-N
MW253.77 g/mol
LogP3.10
Rot. Bonds6

About N-[2-(4-butan-2-ylphenyl)ethyl]-2-chloroacetamide

N-[2-(4-butan-2-ylphenyl)ethyl]-2-chloroacetamide (PubChem CID 115162107) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-[2-(4-butan-2-ylphenyl)ethyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[2-(4-butan-2-ylphenyl)ethyl]-2-chloroacetamide
PubChem CID115162107
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-[2-(4-butan-2-ylphenyl)ethyl]-2-chloroacetamide
SMILESCCC(C)c1ccc(CCNC(=O)CCl)cc1
InChIInChI=1S/C14H20ClNO/c1-3-11(2)13-6-4-12(5-7-13)8-9-16-14(17)10-15/h4-7,11H,3,8-10H2,1-2H3,(H,16,17)
InChIKeyGUYDULOPSVRLGI-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 53.10
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

methyl N-[2-(4-butan-2-ylphenyl)ethyl]carbamate
CID 115190710
N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide
CID 2384376
2-[2-(4-butan-2-ylphenyl)ethylamino]acetamide
CID 115260076
1-butan-2-yl-4-(2-chloroethyl)benzene
CID 82255556
4-[2-(4-butan-2-ylphenyl)ethylamino]butanoic acid
CID 115218703
methyl 4-[2-[(2-chloroacetyl)amino]ethyl]benzoate
CID 68756324
2-(4-butan-2-ylphenyl)-N-(hydrazinylmethyl)ethanamine
CID 115261083
1-butan-2-yl-4-(3-chloropropyl)benzene
CID 116926644
2-amino-3-[2-(4-butan-2-ylphenyl)ethylamino]propanoic acid
CID 115240826
N-[2-(4-butan-2-ylphenyl)ethyl]-2-methylpropan-1-amine
CID 82262124
1-[(4-butan-2-ylphenyl)methyl]-3-propylurea
CID 110774875
3-chloro-N-[2-[4-(2-methylpropyl)phenyl]ethyl]propanamide
CID 115162612

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-butan-2-ylphenyl)ethyl]-2-chloroacetamide?
The IUPAC name of N-[2-(4-butan-2-ylphenyl)ethyl]-2-chloroacetamide (CID 115162107) is N-[2-(4-butan-2-ylphenyl)ethyl]-2-chloroacetamide.
What is the SMILES notation for N-[2-(4-butan-2-ylphenyl)ethyl]-2-chloroacetamide?
The canonical SMILES for N-[2-(4-butan-2-ylphenyl)ethyl]-2-chloroacetamide is CCC(C)c1ccc(CCNC(=O)CCl)cc1.
What is the InChIKey of N-[2-(4-butan-2-ylphenyl)ethyl]-2-chloroacetamide?
The InChIKey is GUYDULOPSVRLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-3-11(2)13-6-4-12(5-7-13)8-9-16-14(17)10-15/h4-7,11H,3,8-10H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(4-butan-2-ylphenyl)ethyl]-2-chloroacetamide?
N-[2-(4-butan-2-ylphenyl)ethyl]-2-chloroacetamide has a molecular weight of 253.77 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-butan-2-ylphenyl)ethyl]-2-chloroacetamide is sourced from PubChem (CID 115162107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).