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

C25H25N3O2 — CID 55722118

IUPAC2-anilino-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(C(=O)N2CCCC2)c1)c1ccccc1Nc1ccccc1
InChIInChI=1S/C25H25N3O2/c29-24(22-13-4-5-14-23(22)27-21-11-2-1-3-12-21)26-18-19-9-8-10-20(17-19)25(30)28-15-6-7-16-28/h1-5,8-14,17,27H,6-7,15-16,18H2,(H,26,29)
InChIKeyQGSDDUNMBOBRTN-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.60
Rot. Bonds6

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

2-anilino-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide (PubChem CID 55722118) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is 2-anilino-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-anilino-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
PubChem CID55722118
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Name2-anilino-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(C(=O)N2CCCC2)c1)c1ccccc1Nc1ccccc1
InChIInChI=1S/C25H25N3O2/c29-24(22-13-4-5-14-23(22)27-21-11-2-1-3-12-21)26-18-19-9-8-10-20(17-19)25(30)28-15-6-7-16-28/h1-5,8-14,17,27H,6-7,15-16,18H2,(H,26,29)
InChIKeyQGSDDUNMBOBRTN-UHFFFAOYSA-N
XLogP4.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
1-benzyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075884
1-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]indole-3-carboxamide
CID 51120858
2-[cyclopropanecarbonyl(methyl)amino]-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 55961993
(2-anilinophenyl)-(azepan-1-yl)methanone
CID 25352843
2-(2-cyanophenyl)sulfanyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 39474944
3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46467040
3-[[2-[3-(azepane-1-carbonyl)anilino]-2-oxoethyl]amino]-N-benzylbenzamide
CID 54844455
N-methyl-N-[2-[[3-(piperidine-1-carbonyl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 55966598
[3-[(2-ethylanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 84558036
N-benzyl-4-[[2-[3-(piperidine-1-carbonyl)anilino]acetyl]amino]benzamide
CID 54843316
2-chloro-4-nitro-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 55693306

Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
The IUPAC name of 2-anilino-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide (CID 55722118) is 2-anilino-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-anilino-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-anilino-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide is O=C(NCc1cccc(C(=O)N2CCCC2)c1)c1ccccc1Nc1ccccc1.
What is the InChIKey of 2-anilino-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
The InChIKey is QGSDDUNMBOBRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c29-24(22-13-4-5-14-23(22)27-21-11-2-1-3-12-21)26-18-19-9-8-10-20(17-19)25(30)28-15-6-7-16-28/h1-5,8-14,17,27H,6-7,15-16,18H2,(H,26,29).
What are the key properties of 2-anilino-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide?
2-anilino-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide has a molecular weight of 399.49 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide is sourced from PubChem (CID 55722118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).