3-amino-2-[(3,4-dichlorophenyl)methoxy]benzamide

C14H12Cl2N2O2 — CID 107873411

IUPAC3-amino-2-[(3,4-dichlorophenyl)methoxy]benzamide
SMILESNC(=O)c1cccc(N)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O2/c15-10-5-4-8(6-11(10)16)7-20-13-9(14(18)19)2-1-3-12(13)17/h1-6H,7,17H2,(H2,18,19)
InChIKeyURAYXOBZUFAZPC-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.25
Rot. Bonds4

About 3-amino-2-[(3,4-dichlorophenyl)methoxy]benzamide

3-amino-2-[(3,4-dichlorophenyl)methoxy]benzamide (PubChem CID 107873411) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 3-amino-2-[(3,4-dichlorophenyl)methoxy]benzamide.

Molecular Properties

Compound Name3-amino-2-[(3,4-dichlorophenyl)methoxy]benzamide
PubChem CID107873411
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name3-amino-2-[(3,4-dichlorophenyl)methoxy]benzamide
SMILESNC(=O)c1cccc(N)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H12Cl2N2O2/c15-10-5-4-8(6-11(10)16)7-20-13-9(14(18)19)2-1-3-12(13)17/h1-6H,7,17H2,(H2,18,19)
InChIKeyURAYXOBZUFAZPC-UHFFFAOYSA-N
XLogP3.25
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.17
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(3,4-dichlorophenyl)methoxy]-3-methylbenzoic acid
CID 63463861
3-amino-2-[(3,4-difluorophenyl)methoxy]benzoic acid
CID 107077228
3-chloro-2-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878154
2-amino-N-[(E)-[2-[(3,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 110340321
3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol
CID 54127176
3-chloro-4-[(3,4-dichlorophenyl)methoxy]benzamide
CID 91683401
3-amino-2-[(2-bromo-4-fluorophenyl)methoxy]benzamide
CID 107873441
3-amino-2-(6-hydroxyhexoxy)benzamide
CID 114011440
3-[(4-amino-2,6-dichlorophenoxy)methyl]benzamide
CID 43351625
3-amino-2-(4-phenylbutoxy)benzamide
CID 107873607
(3,4-dichlorophenyl)methyl 2,6-dichlorobenzoate
CID 2445979
3-amino-2-nonoxybenzamide
CID 107873437

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(3,4-dichlorophenyl)methoxy]benzamide?
The IUPAC name of 3-amino-2-[(3,4-dichlorophenyl)methoxy]benzamide (CID 107873411) is 3-amino-2-[(3,4-dichlorophenyl)methoxy]benzamide.
What is the SMILES notation for 3-amino-2-[(3,4-dichlorophenyl)methoxy]benzamide?
The canonical SMILES for 3-amino-2-[(3,4-dichlorophenyl)methoxy]benzamide is NC(=O)c1cccc(N)c1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-amino-2-[(3,4-dichlorophenyl)methoxy]benzamide?
The InChIKey is URAYXOBZUFAZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-10-5-4-8(6-11(10)16)7-20-13-9(14(18)19)2-1-3-12(13)17/h1-6H,7,17H2,(H2,18,19).
What are the key properties of 3-amino-2-[(3,4-dichlorophenyl)methoxy]benzamide?
3-amino-2-[(3,4-dichlorophenyl)methoxy]benzamide has a molecular weight of 311.17 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(3,4-dichlorophenyl)methoxy]benzamide is sourced from PubChem (CID 107873411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).