N-acetyl-N-[(2-aminophenyl)methyl]-2-phenoxybenzamide

C22H20N2O3 — CID 174425876

IUPACN-acetyl-N-[(2-aminophenyl)methyl]-2-phenoxybenzamide
SMILESCC(=O)N(Cc1ccccc1N)C(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C22H20N2O3/c1-16(25)24(15-17-9-5-7-13-20(17)23)22(26)19-12-6-8-14-21(19)27-18-10-3-2-4-11-18/h2-14H,15,23H2,1H3
InChIKeyYDPHSIKQNVGFEL-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.25
Rot. Bonds5

About N-acetyl-N-[(2-aminophenyl)methyl]-2-phenoxybenzamide

N-acetyl-N-[(2-aminophenyl)methyl]-2-phenoxybenzamide (PubChem CID 174425876) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-acetyl-N-[(2-aminophenyl)methyl]-2-phenoxybenzamide.

Molecular Properties

Compound NameN-acetyl-N-[(2-aminophenyl)methyl]-2-phenoxybenzamide
PubChem CID174425876
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-acetyl-N-[(2-aminophenyl)methyl]-2-phenoxybenzamide
SMILESCC(=O)N(Cc1ccccc1N)C(=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C22H20N2O3/c1-16(25)24(15-17-9-5-7-13-20(17)23)22(26)19-12-6-8-14-21(19)27-18-10-3-2-4-11-18/h2-14H,15,23H2,1H3
InChIKeyYDPHSIKQNVGFEL-UHFFFAOYSA-N
XLogP4.25
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-methyl-2-phenoxybenzamide
CID 3401624
N-pentanoyl-2-phenoxybenzohydrazide
CID 70179060
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-phenoxybenzamide
CID 2481385
(111C)methyl 2-[(N-acetyl-2-phenoxyanilino)methyl]benzoate
CID 11624963
N-acetyl-N-[(2-methoxyphenyl)methyl]acetamide
CID 91715642
N-[(2-aminophenyl)methyl]-2-hydroxy-3-methoxy-N-methylbenzamide
CID 43458368
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-2-phenoxybenzamide
CID 18282160
benzoic acid;2-phenoxybenzoic acid
CID 160712085
2-phenoxybenzoic acid;propan-2-ol
CID 159883753
tert-butyl (2S)-2-acetyl-4-oxo-4-(2-phenoxyphenyl)butanoate
CID 124677421
tert-butyl (2R)-2-acetyl-4-oxo-4-(2-phenoxyphenyl)butanoate
CID 124677420
2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide
CID 43461279

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[(2-aminophenyl)methyl]-2-phenoxybenzamide?
The IUPAC name of N-acetyl-N-[(2-aminophenyl)methyl]-2-phenoxybenzamide (CID 174425876) is N-acetyl-N-[(2-aminophenyl)methyl]-2-phenoxybenzamide.
What is the SMILES notation for N-acetyl-N-[(2-aminophenyl)methyl]-2-phenoxybenzamide?
The canonical SMILES for N-acetyl-N-[(2-aminophenyl)methyl]-2-phenoxybenzamide is CC(=O)N(Cc1ccccc1N)C(=O)c1ccccc1Oc1ccccc1.
What is the InChIKey of N-acetyl-N-[(2-aminophenyl)methyl]-2-phenoxybenzamide?
The InChIKey is YDPHSIKQNVGFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-16(25)24(15-17-9-5-7-13-20(17)23)22(26)19-12-6-8-14-21(19)27-18-10-3-2-4-11-18/h2-14H,15,23H2,1H3.
What are the key properties of N-acetyl-N-[(2-aminophenyl)methyl]-2-phenoxybenzamide?
N-acetyl-N-[(2-aminophenyl)methyl]-2-phenoxybenzamide has a molecular weight of 360.41 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[(2-aminophenyl)methyl]-2-phenoxybenzamide is sourced from PubChem (CID 174425876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).