N-[(5-amino-2-hydroxyphenyl)methyl]-5-chloro-2-methoxybenzamide

C15H15ClN2O3 — CID 43548657

IUPACN-[(5-amino-2-hydroxyphenyl)methyl]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1cc(N)ccc1O
InChIInChI=1S/C15H15ClN2O3/c1-21-14-5-2-10(16)7-12(14)15(20)18-8-9-6-11(17)3-4-13(9)19/h2-7,19H,8,17H2,1H3,(H,18,20)
InChIKeyZXCUITRXZPWJAJ-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.57
Rot. Bonds4

About N-[(5-amino-2-hydroxyphenyl)methyl]-5-chloro-2-methoxybenzamide

N-[(5-amino-2-hydroxyphenyl)methyl]-5-chloro-2-methoxybenzamide (PubChem CID 43548657) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-[(5-amino-2-hydroxyphenyl)methyl]-5-chloro-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(5-amino-2-hydroxyphenyl)methyl]-5-chloro-2-methoxybenzamide
PubChem CID43548657
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC NameN-[(5-amino-2-hydroxyphenyl)methyl]-5-chloro-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)NCc1cc(N)ccc1O
InChIInChI=1S/C15H15ClN2O3/c1-21-14-5-2-10(16)7-12(14)15(20)18-8-9-6-11(17)3-4-13(9)19/h2-7,19H,8,17H2,1H3,(H,18,20)
InChIKeyZXCUITRXZPWJAJ-UHFFFAOYSA-N
XLogP2.57
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[(5-amino-2-methoxyphenyl)methyl]-4-chloro-2-fluorobenzamide
CID 61014183
N-[(5-amino-2-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 61014823
N-[(5-amino-2-hydroxyphenyl)methyl]-2-fluoro-5-methylbenzamide
CID 62514243
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-sulfamoylbenzamide
CID 4794585
5-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 2671578
N-[(2,4-dichlorophenyl)methyl]-2-methoxy-5-methylbenzamide
CID 9268844
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxybenzamide
CID 43548729
5-amino-N-[[4-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 107229452
5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 63311043
N-[(5-amino-2-hydroxyphenyl)methyl]-3-hydroxy-2-methylbenzamide
CID 82827346
5-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822169
5-amino-N-[(2-bromo-5-fluorophenyl)methyl]-2-methoxybenzamide
CID 61139839

Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-5-chloro-2-methoxybenzamide?
The IUPAC name of N-[(5-amino-2-hydroxyphenyl)methyl]-5-chloro-2-methoxybenzamide (CID 43548657) is N-[(5-amino-2-hydroxyphenyl)methyl]-5-chloro-2-methoxybenzamide.
What is the SMILES notation for N-[(5-amino-2-hydroxyphenyl)methyl]-5-chloro-2-methoxybenzamide?
The canonical SMILES for N-[(5-amino-2-hydroxyphenyl)methyl]-5-chloro-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)NCc1cc(N)ccc1O.
What is the InChIKey of N-[(5-amino-2-hydroxyphenyl)methyl]-5-chloro-2-methoxybenzamide?
The InChIKey is ZXCUITRXZPWJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-21-14-5-2-10(16)7-12(14)15(20)18-8-9-6-11(17)3-4-13(9)19/h2-7,19H,8,17H2,1H3,(H,18,20).
What are the key properties of N-[(5-amino-2-hydroxyphenyl)methyl]-5-chloro-2-methoxybenzamide?
N-[(5-amino-2-hydroxyphenyl)methyl]-5-chloro-2-methoxybenzamide has a molecular weight of 306.75 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-hydroxyphenyl)methyl]-5-chloro-2-methoxybenzamide is sourced from PubChem (CID 43548657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).