2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide

C14H20ClNO — CID 2363774

IUPAC2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CCl
InChIInChI=1S/C14H20ClNO/c1-9(2)11-6-5-7-12(10(3)4)14(11)16-13(17)8-15/h5-7,9-10H,8H2,1-4H3,(H,16,17)
InChIKeySQSUDYRMZQRNEX-UHFFFAOYSA-N
MW253.77 g/mol
LogP4.11
Rot. Bonds4

About 2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide

2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 2363774) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID2363774
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)CCl
InChIInChI=1S/C14H20ClNO/c1-9(2)11-6-5-7-12(10(3)4)14(11)16-13(17)8-15/h5-7,9-10H,8H2,1-4H3,(H,16,17)
InChIKeySQSUDYRMZQRNEX-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 54.11
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-di(propan-2-yl)phenyl]-3-(propan-2-ylamino)propanamide
CID 109011721
2-chloro-N-(2-methyl-3-propan-2-ylphenyl)acetamide
CID 166429832
2-chloro-N-[4-iodo-2,6-di(propan-2-yl)phenyl]acetamide
CID 71415983
1,3-bis[2,6-di(propan-2-yl)phenyl]urea
CID 12058189
N'-tert-butyl-N-[2,6-di(propan-2-yl)phenyl]propanediamide
CID 108951516
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-methylpropanamide
CID 113000636
3-(4-chloroanilino)-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 139806981
N-[2,6-di(propan-2-yl)phenyl]-2-[[(1S)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9131955
N-[2,6-di(propan-2-yl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119671524
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9307339
2-[acetyl(propan-2-yl)amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 113158268
bis(2-[carboxymethyl-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]amino]acetic acid);chromium(3+)
CID 159006610

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 2363774) is 2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)CCl.
What is the InChIKey of 2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is SQSUDYRMZQRNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO/c1-9(2)11-6-5-7-12(10(3)4)14(11)16-13(17)8-15/h5-7,9-10H,8H2,1-4H3,(H,16,17).
What are the key properties of 2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide?
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 253.77 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 2363774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).