N-(5-amino-2-methylphenyl)-4-phenoxybenzamide

C20H18N2O2 — CID 57326481

IUPACN-(5-amino-2-methylphenyl)-4-phenoxybenzamide
SMILESCc1ccc(N)cc1NC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H18N2O2/c1-14-7-10-16(21)13-19(14)22-20(23)15-8-11-18(12-9-15)24-17-5-3-2-4-6-17/h2-13H,21H2,1H3,(H,22,23)
InChIKeyNFLCBFSVOHNHIA-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.62
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-4-phenoxybenzamide

N-(5-amino-2-methylphenyl)-4-phenoxybenzamide (PubChem CID 57326481) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-4-phenoxybenzamide.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-4-phenoxybenzamide
PubChem CID57326481
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC NameN-(5-amino-2-methylphenyl)-4-phenoxybenzamide
SMILESCc1ccc(N)cc1NC(=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H18N2O2/c1-14-7-10-16(21)13-19(14)22-20(23)15-8-11-18(12-9-15)24-17-5-3-2-4-6-17/h2-13H,21H2,1H3,(H,22,23)
InChIKeyNFLCBFSVOHNHIA-UHFFFAOYSA-N
XLogP4.62
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.62
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

N-(5-amino-2-methylphenyl)naphthalene-2-carboxamide
CID 16773401
N-(5-amino-2-methylphenyl)-4-hydroxybenzamide
CID 22291140
N-(5-amino-2-methylphenyl)-3,5-dimethoxybenzamide
CID 16778250
N-(5-amino-2-methylphenyl)-4-(trifluoromethyl)benzamide
CID 24709372
N-(5-amino-2-methylphenyl)-4-(2-ethoxyethoxy)benzamide
CID 22291090
N-(5-amino-2-methylphenyl)-4-[(E)-3-phenylprop-2-enyl]benzamide
CID 89462725
N-(5-amino-2-methylphenyl)-2-phenoxyacetamide
CID 16794397
N-(2-methylphenyl)-3-phenoxybenzamide
CID 2097138
N-(3-chloro-4-methylphenyl)-4-phenoxybenzamide
CID 7900446
N-(5-amino-2-methylphenyl)-3-(2-methylpropoxy)benzamide;hydrochloride
CID 120568798
4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide
CID 141323890
N-(5-amino-2-methylphenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 18072524

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-4-phenoxybenzamide?
The IUPAC name of N-(5-amino-2-methylphenyl)-4-phenoxybenzamide (CID 57326481) is N-(5-amino-2-methylphenyl)-4-phenoxybenzamide.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-4-phenoxybenzamide?
The canonical SMILES for N-(5-amino-2-methylphenyl)-4-phenoxybenzamide is Cc1ccc(N)cc1NC(=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-(5-amino-2-methylphenyl)-4-phenoxybenzamide?
The InChIKey is NFLCBFSVOHNHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-14-7-10-16(21)13-19(14)22-20(23)15-8-11-18(12-9-15)24-17-5-3-2-4-6-17/h2-13H,21H2,1H3,(H,22,23).
What are the key properties of N-(5-amino-2-methylphenyl)-4-phenoxybenzamide?
N-(5-amino-2-methylphenyl)-4-phenoxybenzamide has a molecular weight of 318.38 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-4-phenoxybenzamide is sourced from PubChem (CID 57326481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).