N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide

C12H16ClNO — CID 2384376

IUPACN-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide
SMILESCC[C@@H](C)c1ccc(NC(=O)CCl)cc1
InChIInChI=1S/C12H16ClNO/c1-3-9(2)10-4-6-11(7-5-10)14-12(15)8-13/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyVHCITOVVEMWCKN-SECBINFHSA-N
MW225.72 g/mol
LogP3.38
Rot. Bonds4

About N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide

N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide (PubChem CID 2384376) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide
PubChem CID2384376
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC NameN-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide
SMILESCC[C@@H](C)c1ccc(NC(=O)CCl)cc1
InChIInChI=1S/C12H16ClNO/c1-3-9(2)10-4-6-11(7-5-10)14-12(15)8-13/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m1/s1
InChIKeyVHCITOVVEMWCKN-SECBINFHSA-N
XLogP3.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 53.38
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

2-amino-N-(4-butan-2-ylphenyl)acetamide
CID 43218233
N-(4-butan-2-ylphenyl)tetradecanamide
CID 4191696
N-[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]propanamide
CID 154832906
2-(4-bromophenyl)-N-[4-[(2R)-butan-2-yl]phenyl]acetamide
CID 7299572
N-[2-(4-butan-2-ylphenyl)ethyl]-2-chloroacetamide
CID 115162107
ethyl 4-(4-butan-2-ylanilino)-4-oxobutanoate
CID 60637740
2-bromo-N-[3-[4-[(2R)-butan-2-yl]anilino]-3-oxopropyl]-2-methylpropanamide
CID 40803185
ethyl N-[4-[(2S)-butan-2-yl]phenyl]carbamate
CID 40507045
4-amino-N-(4-butan-2-ylphenyl)-3-methoxybutanamide
CID 103154546
N-[4-[(2R)-butan-2-yl]phenyl]-2-(2-fluorophenyl)acetamide
CID 2668849
N-(4-butan-2-ylphenyl)-2-[[2-(4-fluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 42883674
N-(4-butan-2-ylphenyl)-2,3-dihydroxy-N'-methylbutanediamide
CID 23585233

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide?
The IUPAC name of N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide (CID 2384376) is N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide.
What is the SMILES notation for N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide?
The canonical SMILES for N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide is CC[C@@H](C)c1ccc(NC(=O)CCl)cc1.
What is the InChIKey of N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide?
The InChIKey is VHCITOVVEMWCKN-SECBINFHSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-3-9(2)10-4-6-11(7-5-10)14-12(15)8-13/h4-7,9H,3,8H2,1-2H3,(H,14,15)/t9-/m1/s1.
What are the key properties of N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide?
N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide has a molecular weight of 225.72 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2R)-butan-2-yl]phenyl]-2-chloroacetamide is sourced from PubChem (CID 2384376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).