1-(3-amino-4-methylphenyl)dibenzofuran-4-carboxamide

C20H16N2O2 — CID 141034650

IUPAC1-(3-amino-4-methylphenyl)dibenzofuran-4-carboxamide
SMILESCc1ccc(-c2ccc(C(N)=O)c3oc4ccccc4c23)cc1N
InChIInChI=1S/C20H16N2O2/c1-11-6-7-12(10-16(11)21)13-8-9-15(20(22)23)19-18(13)14-4-2-3-5-17(14)24-19/h2-10H,21H2,1H3,(H2,22,23)
InChIKeyIDRFSFNLUKBXHJ-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.24
Rot. Bonds2

About 1-(3-amino-4-methylphenyl)dibenzofuran-4-carboxamide

1-(3-amino-4-methylphenyl)dibenzofuran-4-carboxamide (PubChem CID 141034650) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(3-amino-4-methylphenyl)dibenzofuran-4-carboxamide.

Molecular Properties

Compound Name1-(3-amino-4-methylphenyl)dibenzofuran-4-carboxamide
PubChem CID141034650
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name1-(3-amino-4-methylphenyl)dibenzofuran-4-carboxamide
SMILESCc1ccc(-c2ccc(C(N)=O)c3oc4ccccc4c23)cc1N
InChIInChI=1S/C20H16N2O2/c1-11-6-7-12(10-16(11)21)13-8-9-15(20(22)23)19-18(13)14-4-2-3-5-17(14)24-19/h2-10H,21H2,1H3,(H2,22,23)
InChIKeyIDRFSFNLUKBXHJ-UHFFFAOYSA-N
XLogP4.24
TPSA82.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.24
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

1-(3-methylphenyl)dibenzofuran-4-carboximidamide
CID 142453012
1-(4-phenylphenyl)dibenzofuran-4-amine
CID 121250061
1-[3-[3-[(2E,4Z)-hexa-2,4-dien-3-yl]phenyl]phenyl]-4-methyldibenzofuran
CID 142519053
11,23-dimethyl-9,21-dioxahexacyclo[11.11.0.02,10.03,8.014,22.015,20]tetracosa-1(13),2(10),3,5,7,11,14(22),15,17,19,23-undecaene
CID 144608278
3-methyldibenzofuran-1,4-diamine
CID 68822096
1-[3-(5-bromo-2-methylphenyl)-4-methylphenyl]dibenzofuran
CID 166923235
4-phenyldibenzofuran-1-amine
CID 175743038
1-dibenzofuran-4-yl-4-(1-methyldibenzofuran-4-yl)dibenzofuran
CID 153447937
1-(4-dibenzofuran-4-yldibenzofuran-1-yl)-4-methyldibenzofuran
CID 153447877
1-(2-phenylphenyl)dibenzofuran-4-amine
CID 140757052
2,4-bis(prop-1-en-2-yl)dibenzofuran-1-amine
CID 58401033
9-phenyl-3-[1-(9-phenylcarbazol-3-yl)dibenzofuran-4-yl]carbazole
CID 149165800

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-methylphenyl)dibenzofuran-4-carboxamide?
The IUPAC name of 1-(3-amino-4-methylphenyl)dibenzofuran-4-carboxamide (CID 141034650) is 1-(3-amino-4-methylphenyl)dibenzofuran-4-carboxamide.
What is the SMILES notation for 1-(3-amino-4-methylphenyl)dibenzofuran-4-carboxamide?
The canonical SMILES for 1-(3-amino-4-methylphenyl)dibenzofuran-4-carboxamide is Cc1ccc(-c2ccc(C(N)=O)c3oc4ccccc4c23)cc1N.
What is the InChIKey of 1-(3-amino-4-methylphenyl)dibenzofuran-4-carboxamide?
The InChIKey is IDRFSFNLUKBXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-11-6-7-12(10-16(11)21)13-8-9-15(20(22)23)19-18(13)14-4-2-3-5-17(14)24-19/h2-10H,21H2,1H3,(H2,22,23).
What are the key properties of 1-(3-amino-4-methylphenyl)dibenzofuran-4-carboxamide?
1-(3-amino-4-methylphenyl)dibenzofuran-4-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 4.24, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-methylphenyl)dibenzofuran-4-carboxamide is sourced from PubChem (CID 141034650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).