N-(5-chloropentyl)-2-hydroxy-5-methoxy-N-methylbenzamide

C14H20ClNO3 — CID 107205727

IUPACN-(5-chloropentyl)-2-hydroxy-5-methoxy-N-methylbenzamide
SMILESCOc1ccc(O)c(C(=O)N(C)CCCCCCl)c1
InChIInChI=1S/C14H20ClNO3/c1-16(9-5-3-4-8-15)14(18)12-10-11(19-2)6-7-13(12)17/h6-7,10,17H,3-5,8-9H2,1-2H3
InChIKeyKLBALDZBQGVYFK-UHFFFAOYSA-N
MW285.77 g/mol
LogP2.88
Rot. Bonds7

About N-(5-chloropentyl)-2-hydroxy-5-methoxy-N-methylbenzamide

N-(5-chloropentyl)-2-hydroxy-5-methoxy-N-methylbenzamide (PubChem CID 107205727) has the molecular formula C14H20ClNO3 and a molecular weight of 285.77 g/mol. Its IUPAC name is N-(5-chloropentyl)-2-hydroxy-5-methoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(5-chloropentyl)-2-hydroxy-5-methoxy-N-methylbenzamide
PubChem CID107205727
Molecular FormulaC14H20ClNO3
Molecular Weight285.77 g/mol
Exact Mass285.11
IUPAC NameN-(5-chloropentyl)-2-hydroxy-5-methoxy-N-methylbenzamide
SMILESCOc1ccc(O)c(C(=O)N(C)CCCCCCl)c1
InChIInChI=1S/C14H20ClNO3/c1-16(9-5-3-4-8-15)14(18)12-10-11(19-2)6-7-13(12)17/h6-7,10,17H,3-5,8-9H2,1-2H3
InChIKeyKLBALDZBQGVYFK-UHFFFAOYSA-N
XLogP2.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3-(dimethylamino)propyl]-2-hydroxy-5-methoxy-N-methylbenzamide
CID 63699177
N-(2-ethoxyethyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 81055541
methyl 4-[(2-hydroxy-4-methoxybenzoyl)-methylamino]butanoate
CID 60715393
N-(2-chloroethyl)-N-cyclopropyl-2-hydroxy-5-methoxybenzamide
CID 63394206
N-(2-aminopropyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 63753944
2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide
CID 31284888
N-(5-chloropentyl)-3,4-dimethoxy-N-methylbenzamide
CID 107205814
N-(1-bromo-2-methylpropan-2-yl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 113476640
N-(2-bromo-3-methoxypropyl)-2-hydroxy-5-methoxy-N-methylbenzamide
CID 80678585
2-amino-4-methoxy-N-methyl-N-pentylbenzamide
CID 113305128
2-hydroxy-5-methoxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 60717793
5-bromo-N-(2-chloroethyl)-2-hydroxy-N-methylbenzamide
CID 107730306

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropentyl)-2-hydroxy-5-methoxy-N-methylbenzamide?
The IUPAC name of N-(5-chloropentyl)-2-hydroxy-5-methoxy-N-methylbenzamide (CID 107205727) is N-(5-chloropentyl)-2-hydroxy-5-methoxy-N-methylbenzamide.
What is the SMILES notation for N-(5-chloropentyl)-2-hydroxy-5-methoxy-N-methylbenzamide?
The canonical SMILES for N-(5-chloropentyl)-2-hydroxy-5-methoxy-N-methylbenzamide is COc1ccc(O)c(C(=O)N(C)CCCCCCl)c1.
What is the InChIKey of N-(5-chloropentyl)-2-hydroxy-5-methoxy-N-methylbenzamide?
The InChIKey is KLBALDZBQGVYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO3/c1-16(9-5-3-4-8-15)14(18)12-10-11(19-2)6-7-13(12)17/h6-7,10,17H,3-5,8-9H2,1-2H3.
What are the key properties of N-(5-chloropentyl)-2-hydroxy-5-methoxy-N-methylbenzamide?
N-(5-chloropentyl)-2-hydroxy-5-methoxy-N-methylbenzamide has a molecular weight of 285.77 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropentyl)-2-hydroxy-5-methoxy-N-methylbenzamide is sourced from PubChem (CID 107205727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).