N-(4-anilinophenyl)-2-[(3-propan-2-yloxybenzoyl)amino]benzamide

C29H27N3O3 — CID 17142457

IUPACN-(4-anilinophenyl)-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Nc3ccccc3)cc2)c1
InChIInChI=1S/C29H27N3O3/c1-20(2)35-25-12-8-9-21(19-25)28(33)32-27-14-7-6-13-26(27)29(34)31-24-17-15-23(16-18-24)30-22-10-4-3-5-11-22/h3-20,30H,1-2H3,(H,31,34)(H,32,33)
InChIKeyXENNPBIXUSLCQV-UHFFFAOYSA-N
MW465.55 g/mol
LogP6.72
Rot. Bonds8

About N-(4-anilinophenyl)-2-[(3-propan-2-yloxybenzoyl)amino]benzamide

N-(4-anilinophenyl)-2-[(3-propan-2-yloxybenzoyl)amino]benzamide (PubChem CID 17142457) has the molecular formula C29H27N3O3 and a molecular weight of 465.55 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-[(3-propan-2-yloxybenzoyl)amino]benzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
PubChem CID17142457
Molecular FormulaC29H27N3O3
Molecular Weight465.55 g/mol
Exact Mass465.21
IUPAC NameN-(4-anilinophenyl)-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Nc3ccccc3)cc2)c1
InChIInChI=1S/C29H27N3O3/c1-20(2)35-25-12-8-9-21(19-25)28(33)32-27-14-7-6-13-26(27)29(34)31-24-17-15-23(16-18-24)30-22-10-4-3-5-11-22/h3-20,30H,1-2H3,(H,31,34)(H,32,33)
InChIKeyXENNPBIXUSLCQV-UHFFFAOYSA-N
XLogP6.72
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.55
LogP ≤ 56.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-anilinophenyl)-2-[[3-(2-methylpropoxy)benzoyl]amino]benzamide
CID 17140337
N-tert-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 8779150
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
N-(4-anilinophenyl)-2-(2-phenoxypropanoylamino)benzamide
CID 4942074
2-[(3-methoxybenzoyl)amino]-N-(3-methoxyphenyl)benzamide
CID 51154923
N-(4-fluorophenyl)-2-[(3-methoxybenzoyl)amino]benzamide
CID 1228531
2-[(3-butan-2-yloxybenzoyl)amino]-N-(4-ethoxyphenyl)benzamide
CID 17149792
N-butyl-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17149439
2-[[3-(2-ethoxyethoxy)benzoyl]amino]-N-phenylbenzamide
CID 17139549
2-[(3-butan-2-yloxybenzoyl)carbamothioylamino]-N-phenylbenzamide
CID 17150000
N-[2-[(4-propan-2-yloxyphenyl)carbamoyl]phenyl]thiophene-3-carboxamide
CID 60555404
N-(2-cyanophenyl)-3-propan-2-yloxybenzamide
CID 924558

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-[(3-propan-2-yloxybenzoyl)amino]benzamide?
The IUPAC name of N-(4-anilinophenyl)-2-[(3-propan-2-yloxybenzoyl)amino]benzamide (CID 17142457) is N-(4-anilinophenyl)-2-[(3-propan-2-yloxybenzoyl)amino]benzamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-[(3-propan-2-yloxybenzoyl)amino]benzamide?
The canonical SMILES for N-(4-anilinophenyl)-2-[(3-propan-2-yloxybenzoyl)amino]benzamide is CC(C)Oc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Nc3ccccc3)cc2)c1.
What is the InChIKey of N-(4-anilinophenyl)-2-[(3-propan-2-yloxybenzoyl)amino]benzamide?
The InChIKey is XENNPBIXUSLCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N3O3/c1-20(2)35-25-12-8-9-21(19-25)28(33)32-27-14-7-6-13-26(27)29(34)31-24-17-15-23(16-18-24)30-22-10-4-3-5-11-22/h3-20,30H,1-2H3,(H,31,34)(H,32,33).
What are the key properties of N-(4-anilinophenyl)-2-[(3-propan-2-yloxybenzoyl)amino]benzamide?
N-(4-anilinophenyl)-2-[(3-propan-2-yloxybenzoyl)amino]benzamide has a molecular weight of 465.55 g/mol, XLogP of 6.72, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-[(3-propan-2-yloxybenzoyl)amino]benzamide is sourced from PubChem (CID 17142457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).