2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

C17H19ClN2O4 — CID 110181359

IUPAC2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cc(Cl)ccc2N)cc(OC)c1OC
InChIInChI=1S/C17H19ClN2O4/c1-22-14-6-10(7-15(23-2)16(14)24-3)9-20-17(21)12-8-11(18)4-5-13(12)19/h4-8H,9,19H2,1-3H3,(H,20,21)
InChIKeyVPUHDHPPYBACLX-UHFFFAOYSA-N
MW350.80 g/mol
LogP2.88
Rot. Bonds6

About 2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide

2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (PubChem CID 110181359) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is 2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
PubChem CID110181359
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC Name2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
SMILESCOc1cc(CNC(=O)c2cc(Cl)ccc2N)cc(OC)c1OC
InChIInChI=1S/C17H19ClN2O4/c1-22-14-6-10(7-15(23-2)16(14)24-3)9-20-17(21)12-8-11(18)4-5-13(12)19/h4-8H,9,19H2,1-3H3,(H,20,21)
InChIKeyVPUHDHPPYBACLX-UHFFFAOYSA-N
XLogP2.88
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-bromo-4,5-dimethoxyphenyl)methyl]-4-chloro-2-methoxybenzamide
CID 60611767
5-bromo-2-fluoro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483412
N-[(3-amino-4-methoxyphenyl)methyl]-5-chloro-2-methylbenzamide
CID 82877628
2,3,4-trimethoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 9483233
3,5-dichloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 17485942
5-chloro-4-iodo-2-methoxy-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 55606907
2-bromo-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 2993752
2-amino-5-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 16792678
N-[(3-amino-4-methoxyphenyl)methyl]-2-bromo-4-chlorobenzamide
CID 107986307
N-[(3-amino-4-methoxyphenyl)methyl]-2,4-dichlorobenzamide
CID 60972237
2-chloro-5-methylsulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide
CID 2995885
[2-oxo-2-[(3,4,5-trimethoxyphenyl)methylamino]ethyl] 4-chloro-2-hydroxybenzoate
CID 9342618

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The IUPAC name of 2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide (CID 110181359) is 2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide.
What is the SMILES notation for 2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The canonical SMILES for 2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is COc1cc(CNC(=O)c2cc(Cl)ccc2N)cc(OC)c1OC.
What is the InChIKey of 2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
The InChIKey is VPUHDHPPYBACLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4/c1-22-14-6-10(7-15(23-2)16(14)24-3)9-20-17(21)12-8-11(18)4-5-13(12)19/h4-8H,9,19H2,1-3H3,(H,20,21).
What are the key properties of 2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide?
2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide has a molecular weight of 350.80 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide is sourced from PubChem (CID 110181359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).