N-(2-tert-butylphenyl)-5-chloropentanamide

C15H22ClNO — CID 43697568

IUPACN-(2-tert-butylphenyl)-5-chloropentanamide
SMILESCC(C)(C)c1ccccc1NC(=O)CCCCCl
InChIInChI=1S/C15H22ClNO/c1-15(2,3)12-8-4-5-9-13(12)17-14(18)10-6-7-11-16/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,17,18)
InChIKeyWJKDZSYOYVWZCX-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.33
Rot. Bonds5

About N-(2-tert-butylphenyl)-5-chloropentanamide

N-(2-tert-butylphenyl)-5-chloropentanamide (PubChem CID 43697568) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-5-chloropentanamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-5-chloropentanamide
PubChem CID43697568
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-(2-tert-butylphenyl)-5-chloropentanamide
SMILESCC(C)(C)c1ccccc1NC(=O)CCCCCl
InChIInChI=1S/C15H22ClNO/c1-15(2,3)12-8-4-5-9-13(12)17-14(18)10-6-7-11-16/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,17,18)
InChIKeyWJKDZSYOYVWZCX-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
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

4-amino-N-(2-tert-butylphenyl)butanamide;hydrochloride
CID 119164498
5-chloro-N-(2-propan-2-ylphenyl)pentanamide
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2-(5-chloropentanoylamino)benzoic acid
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5-chloro-N-[2-(methanesulfonamido)phenyl]pentanamide
CID 43700341
2-(7-chloroheptanoylamino)benzamide
CID 139930503
3-(2-tert-butylanilino)-N-(2-chlorophenyl)propanamide
CID 109037305
N-(2-tert-butylphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 7920186
2-chloro-N-[2-(1,1-difluoroethyl)phenyl]acetamide
CID 155580453
N-(2-tert-butylphenyl)-2-methylsulfanylacetamide
CID 67575618
3-(4-acetamidoanilino)-N-(2-tert-butylphenyl)propanamide
CID 109037274
5-chloro-N-(2-propoxyphenyl)pentanamide
CID 43697480
5-chloro-N-(2-nitrophenyl)pentanamide
CID 43699352

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-5-chloropentanamide?
The IUPAC name of N-(2-tert-butylphenyl)-5-chloropentanamide (CID 43697568) is N-(2-tert-butylphenyl)-5-chloropentanamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-5-chloropentanamide?
The canonical SMILES for N-(2-tert-butylphenyl)-5-chloropentanamide is CC(C)(C)c1ccccc1NC(=O)CCCCCl.
What is the InChIKey of N-(2-tert-butylphenyl)-5-chloropentanamide?
The InChIKey is WJKDZSYOYVWZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-15(2,3)12-8-4-5-9-13(12)17-14(18)10-6-7-11-16/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,17,18).
What are the key properties of N-(2-tert-butylphenyl)-5-chloropentanamide?
N-(2-tert-butylphenyl)-5-chloropentanamide has a molecular weight of 267.80 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-5-chloropentanamide is sourced from PubChem (CID 43697568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).