2-amino-5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide

C15H15ClN2O2 — CID 107210212

IUPAC2-amino-5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
SMILESNc1ccc(Cl)cc1C(=O)NCc1cccc(CO)c1
InChIInChI=1S/C15H15ClN2O2/c16-12-4-5-14(17)13(7-12)15(20)18-8-10-2-1-3-11(6-10)9-19/h1-7,19H,8-9,17H2,(H,18,20)
InChIKeySZEDPQONDWKYMP-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.34
Rot. Bonds4

About 2-amino-5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide

2-amino-5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide (PubChem CID 107210212) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
PubChem CID107210212
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-amino-5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
SMILESNc1ccc(Cl)cc1C(=O)NCc1cccc(CO)c1
InChIInChI=1S/C15H15ClN2O2/c16-12-4-5-14(17)13(7-12)15(20)18-8-10-2-1-3-11(6-10)9-19/h1-7,19H,8-9,17H2,(H,18,20)
InChIKeySZEDPQONDWKYMP-UHFFFAOYSA-N
XLogP2.34
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-dichloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311480
5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methoxybenzamide
CID 63311043
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
CID 61111340
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 16792678
5-chloro-N-[(3-chlorophenyl)methyl]-2-fluorobenzamide
CID 9079628
2,3,4-trifluoro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 79755129
2-(2,4-dichlorophenyl)-N-[[3-(hydroxymethyl)phenyl]methyl]acetamide
CID 63311270
2-bromo-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311262
N-[(3-aminophenyl)methyl]-2,4-dichlorobenzamide
CID 62499455
2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 110181359
5-chloro-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzamide
CID 107230315
2-amino-N-[(4-chlorophenyl)methyl]-5-fluorobenzamide
CID 43245704

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The IUPAC name of 2-amino-5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide (CID 107210212) is 2-amino-5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-amino-5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-amino-5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide is Nc1ccc(Cl)cc1C(=O)NCc1cccc(CO)c1.
What is the InChIKey of 2-amino-5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
The InChIKey is SZEDPQONDWKYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-12-4-5-14(17)13(7-12)15(20)18-8-10-2-1-3-11(6-10)9-19/h1-7,19H,8-9,17H2,(H,18,20).
What are the key properties of 2-amino-5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide?
2-amino-5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide has a molecular weight of 290.75 g/mol, XLogP of 2.34, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 107210212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).