4-chloro-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2-methoxyethyl)benzamide

C18H21ClN2O3 — CID 110006657

IUPAC4-chloro-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(Cl)c(NCc2ccc(CO)cc2)c1
InChIInChI=1S/C18H21ClN2O3/c1-24-9-8-20-18(23)15-6-7-16(19)17(10-15)21-11-13-2-4-14(12-22)5-3-13/h2-7,10,21-22H,8-9,11-12H2,1H3,(H,20,23)
InChIKeyOZURWKGLZVVNOR-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.82
Rot. Bonds8

About 4-chloro-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2-methoxyethyl)benzamide

4-chloro-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2-methoxyethyl)benzamide (PubChem CID 110006657) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 4-chloro-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2-methoxyethyl)benzamide
PubChem CID110006657
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name4-chloro-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2-methoxyethyl)benzamide
SMILESCOCCNC(=O)c1ccc(Cl)c(NCc2ccc(CO)cc2)c1
InChIInChI=1S/C18H21ClN2O3/c1-24-9-8-20-18(23)15-6-7-16(19)17(10-15)21-11-13-2-4-14(12-22)5-3-13/h2-7,10,21-22H,8-9,11-12H2,1H3,(H,20,23)
InChIKeyOZURWKGLZVVNOR-UHFFFAOYSA-N
XLogP2.82
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-chloro-3-(2-methoxyethylamino)phenyl]ethanone
CID 82535653
methyl 4-chloro-3-[(3,4-dimethylphenyl)methylamino]benzoate
CID 43784636
4-(benzylamino)-N-(2-methoxyethyl)-3-nitrobenzamide
CID 35864190
4-chloro-3-[(4-methylphenyl)methylamino]benzoic acid
CID 17058925
4-[(4-fluoroanilino)methyl]-N-(2-methoxyethyl)benzamide
CID 110170555
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
4-chloro-3-[(4-hydroxy-1,3-thiazol-2-yl)amino]-N-(2-methoxyethyl)benzamide
CID 91358336
4-chloro-3-[(4-fluorophenyl)methylamino]-N,N-dimethylbenzamide
CID 43738722
methyl 3-[(3-bromo-4-methylphenyl)methylamino]-4-chlorobenzoate
CID 105401244
4-chloro-3-[(3-fluoro-4-methylphenyl)methylamino]-N-methylbenzamide
CID 63646037
4-amino-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-methylbenzamide
CID 107231465
4-chloro-3-[(3-chloro-4-fluorophenyl)methylamino]-N-methylbenzamide
CID 81147765

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 4-chloro-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2-methoxyethyl)benzamide (CID 110006657) is 4-chloro-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 4-chloro-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 4-chloro-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2-methoxyethyl)benzamide is COCCNC(=O)c1ccc(Cl)c(NCc2ccc(CO)cc2)c1.
What is the InChIKey of 4-chloro-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2-methoxyethyl)benzamide?
The InChIKey is OZURWKGLZVVNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-24-9-8-20-18(23)15-6-7-16(19)17(10-15)21-11-13-2-4-14(12-22)5-3-13/h2-7,10,21-22H,8-9,11-12H2,1H3,(H,20,23).
What are the key properties of 4-chloro-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2-methoxyethyl)benzamide?
4-chloro-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2-methoxyethyl)benzamide has a molecular weight of 348.83 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[[4-(hydroxymethyl)phenyl]methylamino]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 110006657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).