aniline;4-naphthalen-2-yloxybenzoic acid;4-naphthalen-2-yloxy-N-phenylbenzamide

C46H36N2O5 — CID 157366333

IUPACaniline;4-naphthalen-2-yloxybenzoic acid;4-naphthalen-2-yloxy-N-phenylbenzamide
SMILESNc1ccccc1.O=C(Nc1ccccc1)c1ccc(Oc2ccc3ccccc3c2)cc1.O=C(O)c1ccc(Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H17NO2.C17H12O3.C6H7N/c25-23(24-20-8-2-1-3-9-20)18-11-13-21(14-12-18)26-22-15-10-17-6-4-5-7-19(17)16-22;18-17(19)13-6-8-15(9-7-13)20-16-10-5-12-3-1-2-4-14(12)11-16;7-6-4-2-1-3-5-6/h1-16H,(H,24,25);1-11H,(H,18,19);1-5H,7H2
InChIKeyBJFMRQMIMWQJJB-UHFFFAOYSA-N
MW696.80 g/mol
LogP11.48
Rot. Bonds7

About aniline;4-naphthalen-2-yloxybenzoic acid;4-naphthalen-2-yloxy-N-phenylbenzamide

aniline;4-naphthalen-2-yloxybenzoic acid;4-naphthalen-2-yloxy-N-phenylbenzamide (PubChem CID 157366333) has the molecular formula C46H36N2O5 and a molecular weight of 696.80 g/mol. Its IUPAC name is aniline;4-naphthalen-2-yloxybenzoic acid;4-naphthalen-2-yloxy-N-phenylbenzamide.

Molecular Properties

Compound Nameaniline;4-naphthalen-2-yloxybenzoic acid;4-naphthalen-2-yloxy-N-phenylbenzamide
PubChem CID157366333
Molecular FormulaC46H36N2O5
Molecular Weight696.80 g/mol
Exact Mass696.26
IUPAC Nameaniline;4-naphthalen-2-yloxybenzoic acid;4-naphthalen-2-yloxy-N-phenylbenzamide
SMILESNc1ccccc1.O=C(Nc1ccccc1)c1ccc(Oc2ccc3ccccc3c2)cc1.O=C(O)c1ccc(Oc2ccc3ccccc3c2)cc1
InChIInChI=1S/C23H17NO2.C17H12O3.C6H7N/c25-23(24-20-8-2-1-3-9-20)18-11-13-21(14-12-18)26-22-15-10-17-6-4-5-7-19(17)16-22;18-17(19)13-6-8-15(9-7-13)20-16-10-5-12-3-1-2-4-14(12)11-16;7-6-4-2-1-3-5-6/h1-16H,(H,24,25);1-11H,(H,18,19);1-5H,7H2
InChIKeyBJFMRQMIMWQJJB-UHFFFAOYSA-N
XLogP11.48
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.80
LogP ≤ 511.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-[4-[(4-carboxyphenyl)carbamoyl]phenoxy]benzoyl]amino]benzoic acid
CID 1113230
4-(3-aminophenoxy)-N-[4-(3-aminophenoxy)phenyl]benzamide
CID 141323890
N-(2-aminophenyl)-4-naphthalen-2-yloxybenzamide
CID 10760610
5-[4-[[3-[4-[[3-(4-aminophenoxy)-5-[[4-[3,5-bis[[4-(3,5-dicarboxyphenoxy)phenyl]carbamoyl]phenoxy]phenyl]carbamoyl]benzoyl]amino]phenoxy]-5-[[4-(3,5-dicarboxyphenoxy)phenyl]carbamoyl]benzoyl]amino]phenoxy]benzene-1,3-dicarboxylic acid
CID 101423023
6-(phenylcarbamoyl)naphthalene-2-carboxylic acid
CID 57390877
benzene-1,3-diamine;4-(4-carboxyphenoxy)benzoic acid
CID 67851830
4-[4-(naphthalen-2-ylcarbamoyl)phenyl]-N-phenylbenzamide
CID 170421564
4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
N-[4-(naphthalene-2-carbonylamino)phenyl]naphthalene-2-carboxamide
CID 5120135
4-[4-(phenylcarbamoyl)benzoyl]benzoic acid
CID 10315543
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
N-methylsulfonyl-4-naphthalen-2-yloxybenzamide
CID 66767288

Frequently Asked Questions

What is the IUPAC name of aniline;4-naphthalen-2-yloxybenzoic acid;4-naphthalen-2-yloxy-N-phenylbenzamide?
The IUPAC name of aniline;4-naphthalen-2-yloxybenzoic acid;4-naphthalen-2-yloxy-N-phenylbenzamide (CID 157366333) is aniline;4-naphthalen-2-yloxybenzoic acid;4-naphthalen-2-yloxy-N-phenylbenzamide.
What is the SMILES notation for aniline;4-naphthalen-2-yloxybenzoic acid;4-naphthalen-2-yloxy-N-phenylbenzamide?
The canonical SMILES for aniline;4-naphthalen-2-yloxybenzoic acid;4-naphthalen-2-yloxy-N-phenylbenzamide is Nc1ccccc1.O=C(Nc1ccccc1)c1ccc(Oc2ccc3ccccc3c2)cc1.O=C(O)c1ccc(Oc2ccc3ccccc3c2)cc1.
What is the InChIKey of aniline;4-naphthalen-2-yloxybenzoic acid;4-naphthalen-2-yloxy-N-phenylbenzamide?
The InChIKey is BJFMRQMIMWQJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO2.C17H12O3.C6H7N/c25-23(24-20-8-2-1-3-9-20)18-11-13-21(14-12-18)26-22-15-10-17-6-4-5-7-19(17)16-22;18-17(19)13-6-8-15(9-7-13)20-16-10-5-12-3-1-2-4-14(12)11-16;7-6-4-2-1-3-5-6/h1-16H,(H,24,25);1-11H,(H,18,19);1-5H,7H2.
What are the key properties of aniline;4-naphthalen-2-yloxybenzoic acid;4-naphthalen-2-yloxy-N-phenylbenzamide?
aniline;4-naphthalen-2-yloxybenzoic acid;4-naphthalen-2-yloxy-N-phenylbenzamide has a molecular weight of 696.80 g/mol, XLogP of 11.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;4-naphthalen-2-yloxybenzoic acid;4-naphthalen-2-yloxy-N-phenylbenzamide is sourced from PubChem (CID 157366333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).