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

C21H19N3O3 — CID 49415661

IUPACN-[1-oxo-1-(4-pyridin-4-yloxyanilino)propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)Nc1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C21H19N3O3/c1-15(23-21(26)16-5-3-2-4-6-16)20(25)24-17-7-9-18(10-8-17)27-19-11-13-22-14-12-19/h2-15H,1H3,(H,23,26)(H,24,25)
InChIKeyFNKDNZRQGJVUTN-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.63
Rot. Bonds6

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

N-[1-oxo-1-(4-pyridin-4-yloxyanilino)propan-2-yl]benzamide (PubChem CID 49415661) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[1-oxo-1-(4-pyridin-4-yloxyanilino)propan-2-yl]benzamide.

Molecular Properties

Compound NameN-[1-oxo-1-(4-pyridin-4-yloxyanilino)propan-2-yl]benzamide
PubChem CID49415661
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[1-oxo-1-(4-pyridin-4-yloxyanilino)propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccccc1)C(=O)Nc1ccc(Oc2ccncc2)cc1
InChIInChI=1S/C21H19N3O3/c1-15(23-21(26)16-5-3-2-4-6-16)20(25)24-17-7-9-18(10-8-17)27-19-11-13-22-14-12-19/h2-15H,1H3,(H,23,26)(H,24,25)
InChIKeyFNKDNZRQGJVUTN-UHFFFAOYSA-N
XLogP3.63
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-oxo-1-(4-phenoxyanilino)propan-2-yl]benzamide
CID 24639209
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
N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-4-ylamino)pentan-2-yl]benzamide
CID 39953572
2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-N-(4-pyridin-4-yloxyphenyl)propanamide
CID 49363843
N-[1-(3-chloro-4-methylanilino)-1-oxopropan-2-yl]benzamide
CID 24638933
2-chloro-N-[(2S)-1-[4-(4-methylphenoxy)anilino]-1-oxopropan-2-yl]benzamide
CID 7613421
N-[(2R)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]benzamide
CID 2712885
propyl 4-(2-benzamidopropanoylamino)benzoate
CID 55339167
N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363593
N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 68732786

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-(4-pyridin-4-yloxyanilino)propan-2-yl]benzamide?
The IUPAC name of N-[1-oxo-1-(4-pyridin-4-yloxyanilino)propan-2-yl]benzamide (CID 49415661) is N-[1-oxo-1-(4-pyridin-4-yloxyanilino)propan-2-yl]benzamide.
What is the SMILES notation for N-[1-oxo-1-(4-pyridin-4-yloxyanilino)propan-2-yl]benzamide?
The canonical SMILES for N-[1-oxo-1-(4-pyridin-4-yloxyanilino)propan-2-yl]benzamide is CC(NC(=O)c1ccccc1)C(=O)Nc1ccc(Oc2ccncc2)cc1.
What is the InChIKey of N-[1-oxo-1-(4-pyridin-4-yloxyanilino)propan-2-yl]benzamide?
The InChIKey is FNKDNZRQGJVUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-15(23-21(26)16-5-3-2-4-6-16)20(25)24-17-7-9-18(10-8-17)27-19-11-13-22-14-12-19/h2-15H,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[1-oxo-1-(4-pyridin-4-yloxyanilino)propan-2-yl]benzamide?
N-[1-oxo-1-(4-pyridin-4-yloxyanilino)propan-2-yl]benzamide has a molecular weight of 361.40 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-(4-pyridin-4-yloxyanilino)propan-2-yl]benzamide is sourced from PubChem (CID 49415661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).