N-(4-anilinophenyl)-4-propoxybenzamide

C22H22N2O2 — CID 4938354

IUPACN-(4-anilinophenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O2/c1-2-16-26-21-14-8-17(9-15-21)22(25)24-20-12-10-19(11-13-20)23-18-6-4-3-5-7-18/h3-15,23H,2,16H2,1H3,(H,24,25)
InChIKeyMXRCEIVPUHLITF-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.47
Rot. Bonds7

About N-(4-anilinophenyl)-4-propoxybenzamide

N-(4-anilinophenyl)-4-propoxybenzamide (PubChem CID 4938354) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(4-anilinophenyl)-4-propoxybenzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-4-propoxybenzamide
PubChem CID4938354
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-(4-anilinophenyl)-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1
InChIInChI=1S/C22H22N2O2/c1-2-16-26-21-14-8-17(9-15-21)22(25)24-20-12-10-19(11-13-20)23-18-6-4-3-5-7-18/h3-15,23H,2,16H2,1H3,(H,24,25)
InChIKeyMXRCEIVPUHLITF-UHFFFAOYSA-N
XLogP5.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
N-(4-anilinophenyl)-4-(3-methylbutoxy)benzamide
CID 4948110
N-(4-anilinophenyl)-3-propoxybenzamide
CID 4960017
N-benzyl-4-[(4-propoxybenzoyl)amino]benzamide
CID 28639944
4-(2-methoxyethoxy)-N-phenylbenzamide
CID 15943269
N-[3-(2-phenoxyethoxy)phenyl]-4-propoxybenzamide
CID 17123567
N-(4-ethoxyphenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952680
N-[4-(3-phenylpropanoylamino)phenyl]-4-propoxybenzamide
CID 17233570
4-(phenylcarbamoylamino)-N-(3-propoxyphenyl)benzamide
CID 38825151
N-[4-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
4-butoxy-N-[4-(2-phenylethoxy)phenyl]benzamide
CID 17066999
N-(4-pentoxyphenyl)-4-phenoxybenzamide
CID 5048433

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-4-propoxybenzamide?
The IUPAC name of N-(4-anilinophenyl)-4-propoxybenzamide (CID 4938354) is N-(4-anilinophenyl)-4-propoxybenzamide.
What is the SMILES notation for N-(4-anilinophenyl)-4-propoxybenzamide?
The canonical SMILES for N-(4-anilinophenyl)-4-propoxybenzamide is CCCOc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-4-propoxybenzamide?
The InChIKey is MXRCEIVPUHLITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-2-16-26-21-14-8-17(9-15-21)22(25)24-20-12-10-19(11-13-20)23-18-6-4-3-5-7-18/h3-15,23H,2,16H2,1H3,(H,24,25).
What are the key properties of N-(4-anilinophenyl)-4-propoxybenzamide?
N-(4-anilinophenyl)-4-propoxybenzamide has a molecular weight of 346.43 g/mol, XLogP of 5.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-4-propoxybenzamide is sourced from PubChem (CID 4938354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).