5-chloro-N-[2,4-di(propan-2-yl)phenyl]pentanamide

C17H26ClNO — CID 43698416

IUPAC5-chloro-N-[2,4-di(propan-2-yl)phenyl]pentanamide
SMILESCC(C)c1ccc(NC(=O)CCCCCl)c(C(C)C)c1
InChIInChI=1S/C17H26ClNO/c1-12(2)14-8-9-16(15(11-14)13(3)4)19-17(20)7-5-6-10-18/h8-9,11-13H,5-7,10H2,1-4H3,(H,19,20)
InChIKeyQHXBEFBRIXSLJA-UHFFFAOYSA-N
MW295.85 g/mol
LogP5.28
Rot. Bonds7

About 5-chloro-N-[2,4-di(propan-2-yl)phenyl]pentanamide

5-chloro-N-[2,4-di(propan-2-yl)phenyl]pentanamide (PubChem CID 43698416) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is 5-chloro-N-[2,4-di(propan-2-yl)phenyl]pentanamide.

Molecular Properties

Compound Name5-chloro-N-[2,4-di(propan-2-yl)phenyl]pentanamide
PubChem CID43698416
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC Name5-chloro-N-[2,4-di(propan-2-yl)phenyl]pentanamide
SMILESCC(C)c1ccc(NC(=O)CCCCCl)c(C(C)C)c1
InChIInChI=1S/C17H26ClNO/c1-12(2)14-8-9-16(15(11-14)13(3)4)19-17(20)7-5-6-10-18/h8-9,11-13H,5-7,10H2,1-4H3,(H,19,20)
InChIKeyQHXBEFBRIXSLJA-UHFFFAOYSA-N
XLogP5.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.85
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(2-propan-2-ylphenyl)pentanamide
CID 28727835
3-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide
CID 43705485
3-chloro-N-[2,4-di(propan-2-yl)phenyl]-2,2-dimethylpropanamide
CID 63680547
2-chloro-N-[2,5-di(propan-2-yl)phenyl]acetamide
CID 155581097
3-(3,4-dimethoxyphenyl)-N-[2,4-di(propan-2-yl)phenyl]propanamide
CID 34445344
2-(cyclopropylmethylamino)-N-[2,4-di(propan-2-yl)phenyl]acetamide
CID 60866035
(2S)-2-amino-N-[2,4-di(propan-2-yl)phenyl]propanamide;hydrochloride
CID 119288317
3-amino-N-[2,4-di(propan-2-yl)phenyl]-2-methylpropanamide
CID 55105659
N-(2-methyl-5-propan-2-ylphenyl)octanamide
CID 4069709
5-chloro-N-(2,4-dichlorophenyl)pentanamide
CID 28727917
2-(5-amino-2-pyridinyl)-N-[2,4-di(propan-2-yl)phenyl]acetamide;hydrochloride
CID 120622112
N-[2,4-di(propan-2-yl)phenyl]-3-(ethylamino)-2-methylpropanamide
CID 62852532

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2,4-di(propan-2-yl)phenyl]pentanamide?
The IUPAC name of 5-chloro-N-[2,4-di(propan-2-yl)phenyl]pentanamide (CID 43698416) is 5-chloro-N-[2,4-di(propan-2-yl)phenyl]pentanamide.
What is the SMILES notation for 5-chloro-N-[2,4-di(propan-2-yl)phenyl]pentanamide?
The canonical SMILES for 5-chloro-N-[2,4-di(propan-2-yl)phenyl]pentanamide is CC(C)c1ccc(NC(=O)CCCCCl)c(C(C)C)c1.
What is the InChIKey of 5-chloro-N-[2,4-di(propan-2-yl)phenyl]pentanamide?
The InChIKey is QHXBEFBRIXSLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-12(2)14-8-9-16(15(11-14)13(3)4)19-17(20)7-5-6-10-18/h8-9,11-13H,5-7,10H2,1-4H3,(H,19,20).
What are the key properties of 5-chloro-N-[2,4-di(propan-2-yl)phenyl]pentanamide?
5-chloro-N-[2,4-di(propan-2-yl)phenyl]pentanamide has a molecular weight of 295.85 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2,4-di(propan-2-yl)phenyl]pentanamide is sourced from PubChem (CID 43698416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).