N-(2-butan-2-ylphenyl)-3-chloro-2,2-dimethylpropanamide

C15H22ClNO — CID 55247136

IUPACN-(2-butan-2-ylphenyl)-3-chloro-2,2-dimethylpropanamide
SMILESCCC(C)c1ccccc1NC(=O)C(C)(C)CCl
InChIInChI=1S/C15H22ClNO/c1-5-11(2)12-8-6-7-9-13(12)17-14(18)15(3,4)10-16/h6-9,11H,5,10H2,1-4H3,(H,17,18)
InChIKeyRPUPMBWPPVCABM-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.40
Rot. Bonds5

About N-(2-butan-2-ylphenyl)-3-chloro-2,2-dimethylpropanamide

N-(2-butan-2-ylphenyl)-3-chloro-2,2-dimethylpropanamide (PubChem CID 55247136) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-3-chloro-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-3-chloro-2,2-dimethylpropanamide
PubChem CID55247136
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-(2-butan-2-ylphenyl)-3-chloro-2,2-dimethylpropanamide
SMILESCCC(C)c1ccccc1NC(=O)C(C)(C)CCl
InChIInChI=1S/C15H22ClNO/c1-5-11(2)12-8-6-7-9-13(12)17-14(18)15(3,4)10-16/h6-9,11H,5,10H2,1-4H3,(H,17,18)
InChIKeyRPUPMBWPPVCABM-UHFFFAOYSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.40
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-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide
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N-[2-[(2S)-butan-2-yl]phenyl]-3,3-dimethylbutanamide
CID 94840429
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
N-[2-(1-hydroxyethyl)phenyl]-2,2-dimethylbutanamide
CID 55103349
3-(2-butan-2-ylphenyl)-1,1-dimethylurea
CID 2974418
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
N-(2-butan-2-ylphenyl)prop-2-enamide
CID 60778016
3-chloro-N-[2-(hydroxymethyl)phenyl]-2,2-dimethylpropanamide
CID 63680184
N-[2-[(2S)-butan-2-yl]phenyl]cyclopropanecarboxamide
CID 9497565
(2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 8894212
N-[(2-butan-2-ylphenyl)carbamothioyl]acetamide
CID 2937950

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-3-chloro-2,2-dimethylpropanamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-3-chloro-2,2-dimethylpropanamide (CID 55247136) is N-(2-butan-2-ylphenyl)-3-chloro-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-3-chloro-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-3-chloro-2,2-dimethylpropanamide is CCC(C)c1ccccc1NC(=O)C(C)(C)CCl.
What is the InChIKey of N-(2-butan-2-ylphenyl)-3-chloro-2,2-dimethylpropanamide?
The InChIKey is RPUPMBWPPVCABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-5-11(2)12-8-6-7-9-13(12)17-14(18)15(3,4)10-16/h6-9,11H,5,10H2,1-4H3,(H,17,18).
What are the key properties of N-(2-butan-2-ylphenyl)-3-chloro-2,2-dimethylpropanamide?
N-(2-butan-2-ylphenyl)-3-chloro-2,2-dimethylpropanamide has a molecular weight of 267.80 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylphenyl)-3-chloro-2,2-dimethylpropanamide is sourced from PubChem (CID 55247136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).