N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide

C14H20ClNO — CID 55110758

IUPACN-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide
SMILESCCC(C)c1ccccc1NC(=O)C(C)CCl
InChIInChI=1S/C14H20ClNO/c1-4-10(2)12-7-5-6-8-13(12)16-14(17)11(3)9-15/h5-8,10-11H,4,9H2,1-3H3,(H,16,17)
InChIKeyPCSIEUFEIAAFDI-UHFFFAOYSA-N
MW253.77 g/mol
LogP4.01
Rot. Bonds5

About N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide

N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide (PubChem CID 55110758) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide
PubChem CID55110758
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC NameN-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide
SMILESCCC(C)c1ccccc1NC(=O)C(C)CCl
InChIInChI=1S/C14H20ClNO/c1-4-10(2)12-7-5-6-8-13(12)16-14(17)11(3)9-15/h5-8,10-11H,4,9H2,1-3H3,(H,16,17)
InChIKeyPCSIEUFEIAAFDI-UHFFFAOYSA-N
XLogP4.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 54.01
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

3-chloro-N-[2-(1-hydroxyethyl)phenyl]-2-methylpropanamide
CID 62727616
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N-[2-(1-chloroethyl)phenyl]-2-methylbutanamide
CID 114304941
(2R)-2-acetamido-N-[2-[(2S)-butan-2-yl]phenyl]propanamide
CID 8894212
N-(2-butan-2-ylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 55247136
[(2R)-1-[2-[(2S)-butan-2-yl]anilino]-1-oxopropan-2-yl] 4-chlorobenzoate
CID 7797305
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 4-chlorobenzoate
CID 7797302
3-(2-butan-2-ylphenyl)-1,1-dimethylurea
CID 2974418
2-methyl-N-[2-[1-(methylamino)ethyl]phenyl]butanamide
CID 43507938
N-[2-[(2R)-butan-2-yl]phenyl]benzamide
CID 849169
1-(2-butan-2-ylphenyl)-3-prop-1-en-2-ylurea
CID 108910430

Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide?
The IUPAC name of N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide (CID 55110758) is N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide.
What is the SMILES notation for N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide?
The canonical SMILES for N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide is CCC(C)c1ccccc1NC(=O)C(C)CCl.
What is the InChIKey of N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide?
The InChIKey is PCSIEUFEIAAFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-4-10(2)12-7-5-6-8-13(12)16-14(17)11(3)9-15/h5-8,10-11H,4,9H2,1-3H3,(H,16,17).
What are the key properties of N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide?
N-(2-butan-2-ylphenyl)-3-chloro-2-methylpropanamide has a molecular weight of 253.77 g/mol, XLogP of 4.01, 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-methylpropanamide is sourced from PubChem (CID 55110758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).