3-amino-2-(phenoxymethyl)benzamide

C14H14N2O2 — CID 69266534

IUPAC3-amino-2-(phenoxymethyl)benzamide
SMILESNC(=O)c1cccc(N)c1COc1ccccc1
InChIInChI=1S/C14H14N2O2/c15-13-8-4-7-11(14(16)17)12(13)9-18-10-5-2-1-3-6-10/h1-8H,9,15H2,(H2,16,17)
InChIKeyBWDZKBNVSGMWKJ-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.95
Rot. Bonds4

About 3-amino-2-(phenoxymethyl)benzamide

3-amino-2-(phenoxymethyl)benzamide (PubChem CID 69266534) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-amino-2-(phenoxymethyl)benzamide.

Molecular Properties

Compound Name3-amino-2-(phenoxymethyl)benzamide
PubChem CID69266534
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-amino-2-(phenoxymethyl)benzamide
SMILESNC(=O)c1cccc(N)c1COc1ccccc1
InChIInChI=1S/C14H14N2O2/c15-13-8-4-7-11(14(16)17)12(13)9-18-10-5-2-1-3-6-10/h1-8H,9,15H2,(H2,16,17)
InChIKeyBWDZKBNVSGMWKJ-UHFFFAOYSA-N
XLogP1.95
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.95
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-[(2-amino-6-chlorophenyl)methoxy]benzamide
CID 63745089
3-amino-2-ethylbenzamide;dihydrochloride
CID 174785201
3-amino-2-ethylbenzamide;fluorobenzene
CID 174889008
3-fluoro-2-(phenoxymethyl)benzoic acid
CID 67133785
2-(2-phenoxyethyl)benzamide
CID 68945309
2-[(3-phenylmethoxyphenyl)methoxy]benzamide
CID 60603891
bis(2-aminobenzamide);platinum(2+)
CID 50912239
(2-aminophenyl)-(3-phenylmethoxyphenyl)methanone
CID 14903626
benzene-1,2-diamine;2-carbamoylbenzoic acid
CID 175046115
2-[[4-(phenoxymethyl)benzoyl]amino]benzamide
CID 924413
2-(hydroxymethyl)benzene-1,3-dicarboxamide
CID 70473851
3-amino-2-[2-(2-amino-6-carboxyphenyl)ethyl]benzoic acid
CID 154093192

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(phenoxymethyl)benzamide?
The IUPAC name of 3-amino-2-(phenoxymethyl)benzamide (CID 69266534) is 3-amino-2-(phenoxymethyl)benzamide.
What is the SMILES notation for 3-amino-2-(phenoxymethyl)benzamide?
The canonical SMILES for 3-amino-2-(phenoxymethyl)benzamide is NC(=O)c1cccc(N)c1COc1ccccc1.
What is the InChIKey of 3-amino-2-(phenoxymethyl)benzamide?
The InChIKey is BWDZKBNVSGMWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c15-13-8-4-7-11(14(16)17)12(13)9-18-10-5-2-1-3-6-10/h1-8H,9,15H2,(H2,16,17).
What are the key properties of 3-amino-2-(phenoxymethyl)benzamide?
3-amino-2-(phenoxymethyl)benzamide has a molecular weight of 242.28 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(phenoxymethyl)benzamide is sourced from PubChem (CID 69266534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).