N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide

C22H20N2O3 — CID 24639209

IUPACN-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H20N2O3/c1-16(23-22(26)17-8-4-2-5-9-17)21(25)24-18-12-14-20(15-13-18)27-19-10-6-3-7-11-19/h2-16H,1H3,(H,23,26)(H,24,25)
InChIKeyNMQUBTINQVPUPD-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.24
Rot. Bonds6

About N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide

N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide (PubChem CID 24639209) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide
PubChem CID24639209
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H20N2O3/c1-16(23-22(26)17-8-4-2-5-9-17)21(25)24-18-12-14-20(15-13-18)27-19-10-6-3-7-11-19/h2-16H,1H3,(H,23,26)(H,24,25)
InChIKeyNMQUBTINQVPUPD-UHFFFAOYSA-N
XLogP4.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-oxo-1-(4-pyridin-4-yloxyanilino)propan-2-yl]benzamide
CID 49415661
N-[1-[4-(4-ethoxyphenoxy)anilino]-1-oxopropan-2-yl]benzamide
CID 24636992
3-nitro-N-[(2S)-1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide
CID 9138986
N-[(2S)-1-[4-(methoxymethyl)anilino]-1-oxopropan-2-yl]benzamide
CID 124854866
(2S)-N-(4-acetamidophenyl)-2-(4-phenoxyanilino)propanamide
CID 7830436
N-(1-amino-1-oxopropan-2-yl)-4-phenoxybenzamide
CID 141018684
N-[1-(benzylamino)-1-oxopropan-2-yl]-4-phenoxybenzamide
CID 60571476
2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide
CID 7613421
propyl 4-(2-benzamidopropanoylamino)benzoate
CID 55339167
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 68732786
[(2R)-1-[4-(3-methoxyphenoxy)anilino]-1-oxopropan-2-yl]carbamic acid
CID 118588187
(2R)-2-[[2-(methylamino)-2-oxoethyl]amino]-N-(4-phenoxyphenyl)propanamide
CID 8771908

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide?
The IUPAC name of N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide (CID 24639209) is N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide.
What is the SMILES notation for N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide?
The canonical SMILES for N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide?
The InChIKey is NMQUBTINQVPUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-16(23-22(26)17-8-4-2-5-9-17)21(25)24-18-12-14-20(15-13-18)27-19-10-6-3-7-11-19/h2-16H,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide?
N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide has a molecular weight of 360.41 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide is sourced from PubChem (CID 24639209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).