5-(2-chloro-5-methoxyanilino)pentanamide

C12H17ClN2O2 — CID 114281598

IUPAC5-(2-chloro-5-methoxyanilino)pentanamide
SMILESCOc1ccc(Cl)c(NCCCCC(N)=O)c1
InChIInChI=1S/C12H17ClN2O2/c1-17-9-5-6-10(13)11(8-9)15-7-3-2-4-12(14)16/h5-6,8,15H,2-4,7H2,1H3,(H2,14,16)
InChIKeyDADFYPRMKZHUAV-UHFFFAOYSA-N
MW256.73 g/mol
LogP2.42
Rot. Bonds7

About 5-(2-chloro-5-methoxyanilino)pentanamide

5-(2-chloro-5-methoxyanilino)pentanamide (PubChem CID 114281598) has the molecular formula C12H17ClN2O2 and a molecular weight of 256.73 g/mol. Its IUPAC name is 5-(2-chloro-5-methoxyanilino)pentanamide.

Molecular Properties

Compound Name5-(2-chloro-5-methoxyanilino)pentanamide
PubChem CID114281598
Molecular FormulaC12H17ClN2O2
Molecular Weight256.73 g/mol
Exact Mass256.10
IUPAC Name5-(2-chloro-5-methoxyanilino)pentanamide
SMILESCOc1ccc(Cl)c(NCCCCC(N)=O)c1
InChIInChI=1S/C12H17ClN2O2/c1-17-9-5-6-10(13)11(8-9)15-7-3-2-4-12(14)16/h5-6,8,15H,2-4,7H2,1H3,(H2,14,16)
InChIKeyDADFYPRMKZHUAV-UHFFFAOYSA-N
XLogP2.42
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062149
5-(2-chloro-5-methoxyanilino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064018
methyl 4-(2-chloro-4-methoxyanilino)butanoate
CID 115233297
2-chloro-5-methoxy-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]aniline
CID 112588961
N-but-3-ynyl-2-chloro-5-methoxyaniline
CID 63655270
4-amino-N-(2-chloro-5-methoxyphenyl)-2,2-dimethylbutanamide
CID 114285613
4-chloro-3-(pentylamino)benzamide
CID 43679378
5-[(2,4-dimethoxyphenyl)methylamino]pentanamide
CID 106234712
2-amino-N-(5-amino-5-oxopentyl)-4-methoxybenzamide
CID 106235860
2-carbamothioyl-N-(2-chloro-5-methoxyphenyl)-2-methylbutanamide
CID 114292151
5-(2-amino-3-chloroanilino)pentanamide
CID 106234126
1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol
CID 168636469

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-methoxyanilino)pentanamide?
The IUPAC name of 5-(2-chloro-5-methoxyanilino)pentanamide (CID 114281598) is 5-(2-chloro-5-methoxyanilino)pentanamide.
What is the SMILES notation for 5-(2-chloro-5-methoxyanilino)pentanamide?
The canonical SMILES for 5-(2-chloro-5-methoxyanilino)pentanamide is COc1ccc(Cl)c(NCCCCC(N)=O)c1.
What is the InChIKey of 5-(2-chloro-5-methoxyanilino)pentanamide?
The InChIKey is DADFYPRMKZHUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2/c1-17-9-5-6-10(13)11(8-9)15-7-3-2-4-12(14)16/h5-6,8,15H,2-4,7H2,1H3,(H2,14,16).
What are the key properties of 5-(2-chloro-5-methoxyanilino)pentanamide?
5-(2-chloro-5-methoxyanilino)pentanamide has a molecular weight of 256.73 g/mol, XLogP of 2.42, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-methoxyanilino)pentanamide is sourced from PubChem (CID 114281598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).