4-amino-3-chloro-N-(3-hydroxy-4-methoxybutyl)benzamide

C12H17ClN2O3 — CID 114162951

IUPAC4-amino-3-chloro-N-(3-hydroxy-4-methoxybutyl)benzamide
SMILESCOCC(O)CCNC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C12H17ClN2O3/c1-18-7-9(16)4-5-15-12(17)8-2-3-11(14)10(13)6-8/h2-3,6,9,16H,4-5,7,14H2,1H3,(H,15,17)
InChIKeyLJPBJNDPBFXDPI-UHFFFAOYSA-N
MW272.73 g/mol
LogP1.05
Rot. Bonds6

About 4-amino-3-chloro-N-(3-hydroxy-4-methoxybutyl)benzamide

4-amino-3-chloro-N-(3-hydroxy-4-methoxybutyl)benzamide (PubChem CID 114162951) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(3-hydroxy-4-methoxybutyl)benzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(3-hydroxy-4-methoxybutyl)benzamide
PubChem CID114162951
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name4-amino-3-chloro-N-(3-hydroxy-4-methoxybutyl)benzamide
SMILESCOCC(O)CCNC(=O)c1ccc(N)c(Cl)c1
InChIInChI=1S/C12H17ClN2O3/c1-18-7-9(16)4-5-15-12(17)8-2-3-11(14)10(13)6-8/h2-3,6,9,16H,4-5,7,14H2,1H3,(H,15,17)
InChIKeyLJPBJNDPBFXDPI-UHFFFAOYSA-N
XLogP1.05
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(3-hydroxy-4-methoxybutyl)-3-iodobenzamide
CID 112750978
3-amino-4-bromo-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 114162952
2-chloro-N-(3-hydroxy-4-methoxybutyl)pyridine-4-carboxamide
CID 103877191
4-amino-3-chloro-N-(5-methylhexyl)benzamide
CID 115325439
4-fluoro-N-(3-hydroxy-4-methoxybutyl)-3-sulfanylbenzamide
CID 106248577
3-(chloromethyl)-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106246225
4-amino-N-butyl-3-chlorobenzamide
CID 59763688
N-(3-hydroxy-4-methoxybutyl)-1H-indole-6-carboxamide
CID 103877617
3-cyano-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 103876697
1-(4-amino-3-chlorophenyl)-4-methoxy-2-methylbutan-1-one
CID 116581862
N-(3-hydroxy-4-methoxybutyl)-6-oxo-1H-pyridine-3-carboxamide
CID 103877366
N-(3-hydroxy-4-methoxybutyl)-6-methoxypyridine-3-carboxamide
CID 103877604

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(3-hydroxy-4-methoxybutyl)benzamide?
The IUPAC name of 4-amino-3-chloro-N-(3-hydroxy-4-methoxybutyl)benzamide (CID 114162951) is 4-amino-3-chloro-N-(3-hydroxy-4-methoxybutyl)benzamide.
What is the SMILES notation for 4-amino-3-chloro-N-(3-hydroxy-4-methoxybutyl)benzamide?
The canonical SMILES for 4-amino-3-chloro-N-(3-hydroxy-4-methoxybutyl)benzamide is COCC(O)CCNC(=O)c1ccc(N)c(Cl)c1.
What is the InChIKey of 4-amino-3-chloro-N-(3-hydroxy-4-methoxybutyl)benzamide?
The InChIKey is LJPBJNDPBFXDPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-18-7-9(16)4-5-15-12(17)8-2-3-11(14)10(13)6-8/h2-3,6,9,16H,4-5,7,14H2,1H3,(H,15,17).
What are the key properties of 4-amino-3-chloro-N-(3-hydroxy-4-methoxybutyl)benzamide?
4-amino-3-chloro-N-(3-hydroxy-4-methoxybutyl)benzamide has a molecular weight of 272.73 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-N-(3-hydroxy-4-methoxybutyl)benzamide is sourced from PubChem (CID 114162951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).