N-(4-anilinophenyl)-3-propoxybenzamide

C22H22N2O2 — CID 4960017

IUPACN-(4-anilinophenyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1
InChIInChI=1S/C22H22N2O2/c1-2-15-26-21-10-6-7-17(16-21)22(25)24-20-13-11-19(12-14-20)23-18-8-4-3-5-9-18/h3-14,16,23H,2,15H2,1H3,(H,24,25)
InChIKeyGPDOSXXWLXQTFW-UHFFFAOYSA-N
MW346.43 g/mol
LogP5.47
Rot. Bonds7

About N-(4-anilinophenyl)-3-propoxybenzamide

N-(4-anilinophenyl)-3-propoxybenzamide (PubChem CID 4960017) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(4-anilinophenyl)-3-propoxybenzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-3-propoxybenzamide
PubChem CID4960017
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-(4-anilinophenyl)-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1
InChIInChI=1S/C22H22N2O2/c1-2-15-26-21-10-6-7-17(16-21)22(25)24-20-13-11-19(12-14-20)23-18-8-4-3-5-9-18/h3-14,16,23H,2,15H2,1H3,(H,24,25)
InChIKeyGPDOSXXWLXQTFW-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-(2-phenoxyethoxy)phenyl]-3-propoxybenzamide
CID 4960126
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
3-propoxy-N-[4-[[4-[(3-propoxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 4960561
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
N-(4-anilinophenyl)-4-propoxybenzamide
CID 4938354
methyl 4-[(3-propoxybenzoyl)amino]benzoate
CID 2293242
N-[4-[(3-chlorobenzoyl)amino]phenyl]-3-propoxybenzamide
CID 2289371
3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
4-(phenylcarbamoylamino)-N-(3-propoxyphenyl)benzamide
CID 38825151
N-phenyl-3-[(3-propoxybenzoyl)carbamothioylamino]benzamide
CID 54781287
N-[4-(propan-2-ylcarbamoyl)phenyl]-3-propoxybenzamide
CID 26157621

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-3-propoxybenzamide?
The IUPAC name of N-(4-anilinophenyl)-3-propoxybenzamide (CID 4960017) is N-(4-anilinophenyl)-3-propoxybenzamide.
What is the SMILES notation for N-(4-anilinophenyl)-3-propoxybenzamide?
The canonical SMILES for N-(4-anilinophenyl)-3-propoxybenzamide is CCCOc1cccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)c1.
What is the InChIKey of N-(4-anilinophenyl)-3-propoxybenzamide?
The InChIKey is GPDOSXXWLXQTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-2-15-26-21-10-6-7-17(16-21)22(25)24-20-13-11-19(12-14-20)23-18-8-4-3-5-9-18/h3-14,16,23H,2,15H2,1H3,(H,24,25).
What are the key properties of N-(4-anilinophenyl)-3-propoxybenzamide?
N-(4-anilinophenyl)-3-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)-3-propoxybenzamide is sourced from PubChem (CID 4960017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).