3-amino-N-[3-(cyanomethoxy)phenyl]benzamide

C15H13N3O2 — CID 43708780

IUPAC3-amino-N-[3-(cyanomethoxy)phenyl]benzamide
SMILESN#CCOc1cccc(NC(=O)c2cccc(N)c2)c1
InChIInChI=1S/C15H13N3O2/c16-7-8-20-14-6-2-5-13(10-14)18-15(19)11-3-1-4-12(17)9-11/h1-6,9-10H,8,17H2,(H,18,19)
InChIKeyAQQKDEMZMHQAOW-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.42
Rot. Bonds4

About 3-amino-N-[3-(cyanomethoxy)phenyl]benzamide

3-amino-N-[3-(cyanomethoxy)phenyl]benzamide (PubChem CID 43708780) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-amino-N-[3-(cyanomethoxy)phenyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[3-(cyanomethoxy)phenyl]benzamide
PubChem CID43708780
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-amino-N-[3-(cyanomethoxy)phenyl]benzamide
SMILESN#CCOc1cccc(NC(=O)c2cccc(N)c2)c1
InChIInChI=1S/C15H13N3O2/c16-7-8-20-14-6-2-5-13(10-14)18-15(19)11-3-1-4-12(17)9-11/h1-6,9-10H,8,17H2,(H,18,19)
InChIKeyAQQKDEMZMHQAOW-UHFFFAOYSA-N
XLogP2.42
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid
CID 63772021
5-amino-2-bromo-N-[3-(cyanomethoxy)phenyl]benzamide
CID 115297134
N-[3-(cyanomethoxy)phenyl]-4-methoxybenzamide
CID 43369186
[3-(cyanomethoxy)phenyl]urea
CID 43369607
2-bromo-N-[3-(cyanomethoxy)phenyl]pyridine-4-carboxamide
CID 103754604
4-(chloromethyl)-N-[3-(cyanomethoxy)phenyl]benzamide
CID 43699575
4-bromo-3-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
CID 80973651
3-(benzenesulfonamido)-N-[3-(cyanomethoxy)phenyl]benzamide
CID 55973067
N-[3-(cyanomethoxy)phenyl]acetamide
CID 43093084
N-[3-(cyanomethoxy)phenyl]-2,6-dimethylbenzamide
CID 103714251
3-bromo-5-chloro-N-[3-(cyanomethoxy)phenyl]benzamide
CID 103826633
3-[3-(cyanomethoxy)anilino]-3-oxopropanoic acid
CID 55049734

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(cyanomethoxy)phenyl]benzamide?
The IUPAC name of 3-amino-N-[3-(cyanomethoxy)phenyl]benzamide (CID 43708780) is 3-amino-N-[3-(cyanomethoxy)phenyl]benzamide.
What is the SMILES notation for 3-amino-N-[3-(cyanomethoxy)phenyl]benzamide?
The canonical SMILES for 3-amino-N-[3-(cyanomethoxy)phenyl]benzamide is N#CCOc1cccc(NC(=O)c2cccc(N)c2)c1.
What is the InChIKey of 3-amino-N-[3-(cyanomethoxy)phenyl]benzamide?
The InChIKey is AQQKDEMZMHQAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-7-8-20-14-6-2-5-13(10-14)18-15(19)11-3-1-4-12(17)9-11/h1-6,9-10H,8,17H2,(H,18,19).
What are the key properties of 3-amino-N-[3-(cyanomethoxy)phenyl]benzamide?
3-amino-N-[3-(cyanomethoxy)phenyl]benzamide has a molecular weight of 267.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(cyanomethoxy)phenyl]benzamide is sourced from PubChem (CID 43708780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).