N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide

C14H13N3O2 — CID 137474408

IUPACN-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide
SMILES[H]/N=C/c1c(N)cc(-c2ccc(O)cc2)cc1NC=O
InChIInChI=1S/C14H13N3O2/c15-7-12-13(16)5-10(6-14(12)17-8-18)9-1-3-11(19)4-2-9/h1-8,15,19H,16H2,(H,17,18)/b15-7+
InChIKeyLMRSMKSHHNDPMI-VIZOYTHASA-N
MW255.28 g/mol
LogP2.21
Rot. Bonds4

About N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide

N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide (PubChem CID 137474408) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide.

Molecular Properties

Compound NameN-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide
PubChem CID137474408
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC NameN-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide
SMILES[H]/N=C/c1c(N)cc(-c2ccc(O)cc2)cc1NC=O
InChIInChI=1S/C14H13N3O2/c15-7-12-13(16)5-10(6-14(12)17-8-18)9-1-3-11(19)4-2-9/h1-8,15,19H,16H2,(H,17,18)/b15-7+
InChIKeyLMRSMKSHHNDPMI-VIZOYTHASA-N
XLogP2.21
TPSA99.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide?
The IUPAC name of N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide (CID 137474408) is N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide.
What is the SMILES notation for N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide?
The canonical SMILES for N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide is [H]/N=C/c1c(N)cc(-c2ccc(O)cc2)cc1NC=O.
What is the InChIKey of N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide?
The InChIKey is LMRSMKSHHNDPMI-VIZOYTHASA-N. The full InChI is InChI=1S/C14H13N3O2/c15-7-12-13(16)5-10(6-14(12)17-8-18)9-1-3-11(19)4-2-9/h1-8,15,19H,16H2,(H,17,18)/b15-7+.
What are the key properties of N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide?
N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide has a molecular weight of 255.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-5-(4-hydroxyphenyl)-2-methanimidoylphenyl]formamide is sourced from PubChem (CID 137474408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).