4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide

C13H18Cl2N2O2 — CID 103872832

IUPAC4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide
SMILESCOCCCCCNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O2/c1-19-6-4-2-3-5-17-13(18)9-7-10(14)12(16)11(15)8-9/h7-8H,2-6,16H2,1H3,(H,17,18)
InChIKeyJOBOROZEQKUYIT-UHFFFAOYSA-N
MW305.20 g/mol
LogP3.12
Rot. Bonds7

About 4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide

4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide (PubChem CID 103872832) has the molecular formula C13H18Cl2N2O2 and a molecular weight of 305.20 g/mol. Its IUPAC name is 4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide.

Molecular Properties

Compound Name4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide
PubChem CID103872832
Molecular FormulaC13H18Cl2N2O2
Molecular Weight305.20 g/mol
Exact Mass304.07
IUPAC Name4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide
SMILESCOCCCCCNC(=O)c1cc(Cl)c(N)c(Cl)c1
InChIInChI=1S/C13H18Cl2N2O2/c1-19-6-4-2-3-5-17-13(18)9-7-10(14)12(16)11(15)8-9/h7-8H,2-6,16H2,1H3,(H,17,18)
InChIKeyJOBOROZEQKUYIT-UHFFFAOYSA-N
XLogP3.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3,5-dichloro-N-octylbenzamide
CID 82832749
4-amino-3,5-dichloro-N-pentylbenzamide
CID 82786165
3-amino-5-chloro-N-(5-methoxypentyl)benzamide
CID 114129389
4-amino-3,5-dichloro-N-[4-(dimethylamino)butyl]benzamide
CID 82833147
2,3-dichloro-5-(4-methoxybutylcarbamoyl)benzenesulfonyl chloride
CID 65397171
4-amino-3,5-dichloro-N-[3-(2-methylpropoxy)propyl]benzamide
CID 82787820
4-amino-3,5-dichloro-N-(2-propan-2-yloxyethyl)benzamide
CID 104600972
4-amino-3,5-difluoro-N-(3-methoxypropyl)benzamide
CID 63187415
3,5-dibromo-N-(4-methoxybutyl)benzamide
CID 103907947
4-amino-3,5-dichloro-N-[3-(cyclopropylmethoxy)propyl]benzamide
CID 82787459
3-bromo-4-chloro-N-(4-methoxybutyl)benzamide
CID 110610259
4-amino-N-[2-(2-amino-2-oxoethoxy)ethyl]-3,5-dichlorobenzamide
CID 103873774

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide?
The IUPAC name of 4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide (CID 103872832) is 4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide.
What is the SMILES notation for 4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide?
The canonical SMILES for 4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide is COCCCCCNC(=O)c1cc(Cl)c(N)c(Cl)c1.
What is the InChIKey of 4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide?
The InChIKey is JOBOROZEQKUYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2/c1-19-6-4-2-3-5-17-13(18)9-7-10(14)12(16)11(15)8-9/h7-8H,2-6,16H2,1H3,(H,17,18).
What are the key properties of 4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide?
4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide has a molecular weight of 305.20 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,5-dichloro-N-(5-methoxypentyl)benzamide is sourced from PubChem (CID 103872832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).