3-[(4-amino-2,6-dichlorophenoxy)methyl]benzamide

C14H12Cl2N2O2 — CID 43351625

IUPAC3-[(4-amino-2,6-dichlorophenoxy)methyl]benzamide
SMILESNC(=O)c1cccc(COc2c(Cl)cc(N)cc2Cl)c1
InChIInChI=1S/C14H12Cl2N2O2/c15-11-5-10(17)6-12(16)13(11)20-7-8-2-1-3-9(4-8)14(18)19/h1-6H,7,17H2,(H2,18,19)
InChIKeyFTLVEGFKXPDMOW-UHFFFAOYSA-N
MW311.17 g/mol
LogP3.25
Rot. Bonds4

About 3-[(4-amino-2,6-dichlorophenoxy)methyl]benzamide

3-[(4-amino-2,6-dichlorophenoxy)methyl]benzamide (PubChem CID 43351625) has the molecular formula C14H12Cl2N2O2 and a molecular weight of 311.17 g/mol. Its IUPAC name is 3-[(4-amino-2,6-dichlorophenoxy)methyl]benzamide.

Molecular Properties

Compound Name3-[(4-amino-2,6-dichlorophenoxy)methyl]benzamide
PubChem CID43351625
Molecular FormulaC14H12Cl2N2O2
Molecular Weight311.17 g/mol
Exact Mass310.03
IUPAC Name3-[(4-amino-2,6-dichlorophenoxy)methyl]benzamide
SMILESNC(=O)c1cccc(COc2c(Cl)cc(N)cc2Cl)c1
InChIInChI=1S/C14H12Cl2N2O2/c15-11-5-10(17)6-12(16)13(11)20-7-8-2-1-3-9(4-8)14(18)19/h1-6H,7,17H2,(H2,18,19)
InChIKeyFTLVEGFKXPDMOW-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

3-[(2,6-dichlorophenoxy)methyl]benzoic acid
CID 19619632
3-[(2,4,6-trichlorophenoxy)methyl]benzoate
CID 7015973
3-[(2,4,6-trichlorophenoxy)methyl]benzenecarbothioamide
CID 29005520
3-[(2,6-dichlorophenoxy)methyl]benzenecarbothioamide
CID 60801950
4-[(3-carbamimidoylphenyl)methoxy]-3,5-dichlorobenzenecarboximidamide
CID 73355195
3-[[2-chloro-6-methoxy-4-[3-oxo-3-(3,4,5-trimethoxyphenyl)prop-1-enyl]phenoxy]methyl]benzamide
CID 155779691
3,5-dichloro-4-[(4-methylphenyl)methoxy]benzamide
CID 91682782
3-[(3-carbamoylphenoxy)methyl]benzoic acid
CID 24710779
3-[(4-fluorophenoxy)methyl]benzamide
CID 47027867
3-[(2-bromo-4-methylphenoxy)methyl]benzamide
CID 28602474
4-[(3-bromophenyl)methoxy]-3-chlorobenzamide
CID 91683338
3,5-dichloro-4-phenylmethoxybenzoyl chloride
CID 11255525

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-2,6-dichlorophenoxy)methyl]benzamide?
The IUPAC name of 3-[(4-amino-2,6-dichlorophenoxy)methyl]benzamide (CID 43351625) is 3-[(4-amino-2,6-dichlorophenoxy)methyl]benzamide.
What is the SMILES notation for 3-[(4-amino-2,6-dichlorophenoxy)methyl]benzamide?
The canonical SMILES for 3-[(4-amino-2,6-dichlorophenoxy)methyl]benzamide is NC(=O)c1cccc(COc2c(Cl)cc(N)cc2Cl)c1.
What is the InChIKey of 3-[(4-amino-2,6-dichlorophenoxy)methyl]benzamide?
The InChIKey is FTLVEGFKXPDMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2N2O2/c15-11-5-10(17)6-12(16)13(11)20-7-8-2-1-3-9(4-8)14(18)19/h1-6H,7,17H2,(H2,18,19).
What are the key properties of 3-[(4-amino-2,6-dichlorophenoxy)methyl]benzamide?
3-[(4-amino-2,6-dichlorophenoxy)methyl]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-[(4-amino-2,6-dichlorophenoxy)methyl]benzamide is sourced from PubChem (CID 43351625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).