N-[(2R)-4-(4-anilinoanilino)-4-oxobutan-2-yl]benzamide

C23H23N3O2 — CID 25408367

IUPACN-[(2R)-4-(4-anilinoanilino)-4-oxobutan-2-yl]benzamide
SMILESC[C@H](CC(=O)Nc1ccc(Nc2ccccc2)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C23H23N3O2/c1-17(24-23(28)18-8-4-2-5-9-18)16-22(27)26-21-14-12-20(13-15-21)25-19-10-6-3-7-11-19/h2-15,17,25H,16H2,1H3,(H,24,28)(H,26,27)/t17-/m1/s1
InChIKeyFWBINGDAVVUJMW-QGZVFWFLSA-N
MW373.46 g/mol
LogP4.58
Rot. Bonds7

About N-[(2R)-4-(4-anilinoanilino)-4-oxobutan-2-yl]benzamide

N-[(2R)-4-(4-anilinoanilino)-4-oxobutan-2-yl]benzamide (PubChem CID 25408367) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-[(2R)-4-(4-anilinoanilino)-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2R)-4-(4-anilinoanilino)-4-oxobutan-2-yl]benzamide
PubChem CID25408367
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-[(2R)-4-(4-anilinoanilino)-4-oxobutan-2-yl]benzamide
SMILESC[C@H](CC(=O)Nc1ccc(Nc2ccccc2)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C23H23N3O2/c1-17(24-23(28)18-8-4-2-5-9-18)16-22(27)26-21-14-12-20(13-15-21)25-19-10-6-3-7-11-19/h2-15,17,25H,16H2,1H3,(H,24,28)(H,26,27)/t17-/m1/s1
InChIKeyFWBINGDAVVUJMW-QGZVFWFLSA-N
XLogP4.58
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(3-methoxyanilino)-4-oxobutan-2-yl]benzamide
CID 51194801
N-[4-(3-nitroanilino)-4-oxobutan-2-yl]benzamide
CID 51194826
ethyl 3-(3-benzamidobutanoylamino)benzoate
CID 46612606
(E)-2,3-bis[(2S)-2-benzamidopropyl]but-2-enedioic acid
CID 126482935
(E)-2,3-bis[(2R)-2-benzamidopropyl]but-2-enedioic acid
CID 126483406
N-(4-oxo-4-phenylbutan-2-yl)benzamide
CID 15430092
N-[4-(tert-butylamino)-4-oxobutan-2-yl]benzamide
CID 43053096
N-[4-oxo-4-(pentan-2-ylamino)butan-2-yl]benzamide
CID 24639425
[2-oxo-2-(4-phenoxyanilino)ethyl] 3-benzamidobutanoate
CID 55379808
2-[(4-anilino-4-oxobutan-2-yl)amino]propanoic acid
CID 114244259
N-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide
CID 24629855
N-[4-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-4-oxobutan-2-yl]benzamide
CID 46519790

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-(4-anilinoanilino)-4-oxobutan-2-yl]benzamide?
The IUPAC name of N-[(2R)-4-(4-anilinoanilino)-4-oxobutan-2-yl]benzamide (CID 25408367) is N-[(2R)-4-(4-anilinoanilino)-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for N-[(2R)-4-(4-anilinoanilino)-4-oxobutan-2-yl]benzamide?
The canonical SMILES for N-[(2R)-4-(4-anilinoanilino)-4-oxobutan-2-yl]benzamide is C[C@H](CC(=O)Nc1ccc(Nc2ccccc2)cc1)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2R)-4-(4-anilinoanilino)-4-oxobutan-2-yl]benzamide?
The InChIKey is FWBINGDAVVUJMW-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-17(24-23(28)18-8-4-2-5-9-18)16-22(27)26-21-14-12-20(13-15-21)25-19-10-6-3-7-11-19/h2-15,17,25H,16H2,1H3,(H,24,28)(H,26,27)/t17-/m1/s1.
What are the key properties of N-[(2R)-4-(4-anilinoanilino)-4-oxobutan-2-yl]benzamide?
N-[(2R)-4-(4-anilinoanilino)-4-oxobutan-2-yl]benzamide has a molecular weight of 373.46 g/mol, XLogP of 4.58, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-(4-anilinoanilino)-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 25408367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).