N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide

C26H26N4O3 — CID 54841067

IUPACN-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
SMILESO=C(CNc1cccc(C(=O)N2CCCC2)c1)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C26H26N4O3/c31-24(18-27-21-11-6-10-20(16-21)26(33)30-14-4-5-15-30)28-22-12-7-13-23(17-22)29-25(32)19-8-2-1-3-9-19/h1-3,6-13,16-17,27H,4-5,14-15,18H2,(H,28,31)(H,29,32)
InChIKeyVMPHWINQQMNOIX-UHFFFAOYSA-N
MW442.52 g/mol
LogP4.23
Rot. Bonds7

About N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide

N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide (PubChem CID 54841067) has the molecular formula C26H26N4O3 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
PubChem CID54841067
Molecular FormulaC26H26N4O3
Molecular Weight442.52 g/mol
Exact Mass442.20
IUPAC NameN-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide
SMILESO=C(CNc1cccc(C(=O)N2CCCC2)c1)Nc1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C26H26N4O3/c31-24(18-27-21-11-6-10-20(16-21)26(33)30-14-4-5-15-30)28-22-12-7-13-23(17-22)29-25(32)19-8-2-1-3-9-19/h1-3,6-13,16-17,27H,4-5,14-15,18H2,(H,28,31)(H,29,32)
InChIKeyVMPHWINQQMNOIX-UHFFFAOYSA-N
XLogP4.23
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
CID 54841554
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]propanamide
CID 54833152
N-methyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54839676
3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-benzylbenzamide
CID 54844455
2-[3-(morpholine-4-carbonyl)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54836347
N-[4-[[2-[3-(azepane-1-carbonyl)anilino]acetyl]amino]phenyl]-3-methylbenzamide
CID 54841798
3-[[2-oxo-2-[3-(pyrrolidine-1-carbonyl)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833558
2,2-dimethyl-N-[3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]phenyl]propanamide
CID 54835732
N-[3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843452
N-benzyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843316
3-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]-N-propan-2-ylbenzamide
CID 54843467
N-ethyl-3-[[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]amino]benzamide
CID 54838048

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide?
The IUPAC name of N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide (CID 54841067) is N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide?
The canonical SMILES for N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide is O=C(CNc1cccc(C(=O)N2CCCC2)c1)Nc1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide?
The InChIKey is VMPHWINQQMNOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3/c31-24(18-27-21-11-6-10-20(16-21)26(33)30-14-4-5-15-30)28-22-12-7-13-23(17-22)29-25(32)19-8-2-1-3-9-19/h1-3,6-13,16-17,27H,4-5,14-15,18H2,(H,28,31)(H,29,32).
What are the key properties of N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide?
N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide has a molecular weight of 442.52 g/mol, XLogP of 4.23, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-[3-(pyrrolidine-1-carbonyl)anilino]acetyl]amino]phenyl]benzamide is sourced from PubChem (CID 54841067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).