benzhydryl-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]azanium

C28H26N3O2+ — CID 2549153

IUPACbenzhydryl-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]azanium
SMILESO=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C28H25N3O2/c32-26(20-29-27(21-12-4-1-5-13-21)22-14-6-2-7-15-22)31-25-19-11-10-18-24(25)28(33)30-23-16-8-3-9-17-23/h1-19,27,29H,20H2,(H,30,33)(H,31,32)/p+1
InChIKeyRXUXDSIGOUTHTF-UHFFFAOYSA-O
MW436.54 g/mol
LogP4.23
Rot. Bonds8

About benzhydryl-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]azanium

benzhydryl-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]azanium (PubChem CID 2549153) has the molecular formula C28H26N3O2+ and a molecular weight of 436.54 g/mol. Its IUPAC name is benzhydryl-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]azanium.

Molecular Properties

Compound Namebenzhydryl-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]azanium
PubChem CID2549153
Molecular FormulaC28H26N3O2+
Molecular Weight436.54 g/mol
Exact Mass436.20
IUPAC Namebenzhydryl-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]azanium
SMILESO=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C28H25N3O2/c32-26(20-29-27(21-12-4-1-5-13-21)22-14-6-2-7-15-22)31-25-19-11-10-18-24(25)28(33)30-23-16-8-3-9-17-23/h1-19,27,29H,20H2,(H,30,33)(H,31,32)/p+1
InChIKeyRXUXDSIGOUTHTF-UHFFFAOYSA-O
XLogP4.23
TPSA74.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.54
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

benzhydryl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 2534796
2-(butanoylamino)-N-phenylbenzamide
CID 676008
N-phenyl-2-[[2-(phenylcarbamoyl)phenyl]carbamoylamino]benzamide
CID 139684594
[2-(2-acetylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132063
benzhydryl-[2-[4-(dimethylamino)anilino]-2-oxoethyl]azanium
CID 2443760
[2-(4-fluoroanilino)-2-oxoethyl]-[(R)-(4-methylphenyl)-phenylmethyl]azanium
CID 9392775
[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl] (3S)-3-phenylbutanoate
CID 7265956
2-[[2-(phenylcarbamoyl)phenyl]carbamoyl]benzoic acid
CID 1008649
[(R)-(4-methylphenyl)-phenylmethyl]-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium
CID 8641149
[2-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-benzhydrylazanium
CID 8545731
2-hydrazinyl-N-phenylbenzamide
CID 12569370
2-[[2-(4-acetylpiperazin-1-ium-1-yl)acetyl]amino]-N-phenylbenzamide
CID 7833202

Frequently Asked Questions

What is the IUPAC name of benzhydryl-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]azanium?
The IUPAC name of benzhydryl-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]azanium (CID 2549153) is benzhydryl-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]azanium.
What is the SMILES notation for benzhydryl-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]azanium?
The canonical SMILES for benzhydryl-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]azanium is O=C(C[NH2+]C(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of benzhydryl-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]azanium?
The InChIKey is RXUXDSIGOUTHTF-UHFFFAOYSA-O. The full InChI is InChI=1S/C28H25N3O2/c32-26(20-29-27(21-12-4-1-5-13-21)22-14-6-2-7-15-22)31-25-19-11-10-18-24(25)28(33)30-23-16-8-3-9-17-23/h1-19,27,29H,20H2,(H,30,33)(H,31,32)/p+1.
What are the key properties of benzhydryl-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]azanium?
benzhydryl-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]azanium has a molecular weight of 436.54 g/mol, XLogP of 4.23, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydryl-[2-oxo-2-[2-(phenylcarbamoyl)anilino]ethyl]azanium is sourced from PubChem (CID 2549153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).