5-chloro-N-(2-methyl-1-phenoxypropan-2-yl)pentanamide

C15H22ClNO2 — CID 18349602

IUPAC5-chloro-N-(2-methyl-1-phenoxypropan-2-yl)pentanamide
SMILESCC(C)(COc1ccccc1)NC(=O)CCCCCl
InChIInChI=1S/C15H22ClNO2/c1-15(2,17-14(18)10-6-7-11-16)12-19-13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3,(H,17,18)
InChIKeyBTNFRIHFSMCWHN-UHFFFAOYSA-N
MW283.80 g/mol
LogP3.37
Rot. Bonds8

About 5-chloro-N-(2-methyl-1-phenoxypropan-2-yl)pentanamide

5-chloro-N-(2-methyl-1-phenoxypropan-2-yl)pentanamide (PubChem CID 18349602) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 5-chloro-N-(2-methyl-1-phenoxypropan-2-yl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(2-methyl-1-phenoxypropan-2-yl)pentanamide
PubChem CID18349602
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name5-chloro-N-(2-methyl-1-phenoxypropan-2-yl)pentanamide
SMILESCC(C)(COc1ccccc1)NC(=O)CCCCCl
InChIInChI=1S/C15H22ClNO2/c1-15(2,17-14(18)10-6-7-11-16)12-19-13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3,(H,17,18)
InChIKeyBTNFRIHFSMCWHN-UHFFFAOYSA-N
XLogP3.37
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-(2-methylbutan-2-yl)-4-phenoxybutanamide
CID 17372829
4-methyl-4-(4-phenoxybutanoylamino)pentanoic acid
CID 62041775
2,2-dimethyl-3-phenoxypropanoyl chloride
CID 82040727
5-chloro-N-(4-phenoxyphenyl)pentanamide
CID 28971507
3,3-difluoro-4-phenoxybutanoic acid
CID 105469449
3-methyl-3-[4-(4-methylphenoxy)butanoylamino]butanoic acid
CID 64671666
N-(2-tert-butylphenyl)-5-chloropentanamide
CID 43697568
2,2-dimethyl-3-phenoxypropanehydrazide
CID 79626313
4-methyl-4-[[2-(2-phenoxyethoxy)acetyl]amino]pentanoic acid
CID 119203692
N-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride
CID 119568655
2,2-difluoropropoxybenzene
CID 10997493
5-bromo-N-(2-methyl-4-phenylbutan-2-yl)pentanamide
CID 107910587

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-methyl-1-phenoxypropan-2-yl)pentanamide?
The IUPAC name of 5-chloro-N-(2-methyl-1-phenoxypropan-2-yl)pentanamide (CID 18349602) is 5-chloro-N-(2-methyl-1-phenoxypropan-2-yl)pentanamide.
What is the SMILES notation for 5-chloro-N-(2-methyl-1-phenoxypropan-2-yl)pentanamide?
The canonical SMILES for 5-chloro-N-(2-methyl-1-phenoxypropan-2-yl)pentanamide is CC(C)(COc1ccccc1)NC(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-(2-methyl-1-phenoxypropan-2-yl)pentanamide?
The InChIKey is BTNFRIHFSMCWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO2/c1-15(2,17-14(18)10-6-7-11-16)12-19-13-8-4-3-5-9-13/h3-5,8-9H,6-7,10-12H2,1-2H3,(H,17,18).
What are the key properties of 5-chloro-N-(2-methyl-1-phenoxypropan-2-yl)pentanamide?
5-chloro-N-(2-methyl-1-phenoxypropan-2-yl)pentanamide has a molecular weight of 283.80 g/mol, XLogP of 3.37, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-methyl-1-phenoxypropan-2-yl)pentanamide is sourced from PubChem (CID 18349602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).