N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylbenzamide

C27H28N2O2 — CID 43903864

IUPACN-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(c3ccccc3)C2)cc1
InChIInChI=1S/C27H28N2O2/c1-19(2)20-12-14-22(15-13-20)26(30)28-25-11-7-6-10-24(25)27(31)29-17-16-23(18-29)21-8-4-3-5-9-21/h3-15,19,23H,16-18H2,1-2H3,(H,28,30)
InChIKeyOBMKYFWIGMTCBH-UHFFFAOYSA-N
MW412.53 g/mol
LogP5.69
Rot. Bonds5

About N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylbenzamide

N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylbenzamide (PubChem CID 43903864) has the molecular formula C27H28N2O2 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylbenzamide
PubChem CID43903864
Molecular FormulaC27H28N2O2
Molecular Weight412.53 g/mol
Exact Mass412.22
IUPAC NameN-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(c3ccccc3)C2)cc1
InChIInChI=1S/C27H28N2O2/c1-19(2)20-12-14-22(15-13-20)26(30)28-25-11-7-6-10-24(25)27(31)29-17-16-23(18-29)21-8-4-3-5-9-21/h3-15,19,23H,16-18H2,1-2H3,(H,28,30)
InChIKeyOBMKYFWIGMTCBH-UHFFFAOYSA-N
XLogP5.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.53
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide
CID 43903885
N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]pentanamide
CID 43903944
N-[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119595079
2-methyl-3-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide
CID 43903884
2-chloro-5-nitro-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]benzamide
CID 43903889
5-(3,4-dichlorophenyl)-N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]furan-2-carboxamide
CID 43903957
4-fluoro-N-[2-[(3R)-3-methylpiperidine-1-carbonyl]phenyl]benzamide
CID 7299794
N-[2-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]benzamide
CID 119540740
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
1-propan-2-yl-3-[2-[4-(4-propan-2-ylbenzoyl)piperazine-1-carbonyl]phenyl]urea
CID 55974794
4-methyl-N-[2-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 566959
2-[(4-cyclopropylbenzoyl)amino]benzoic acid
CID 126822246

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylbenzamide (CID 43903864) is N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)Nc2ccccc2C(=O)N2CCC(c3ccccc3)C2)cc1.
What is the InChIKey of N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylbenzamide?
The InChIKey is OBMKYFWIGMTCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N2O2/c1-19(2)20-12-14-22(15-13-20)26(30)28-25-11-7-6-10-24(25)27(31)29-17-16-23(18-29)21-8-4-3-5-9-21/h3-15,19,23H,16-18H2,1-2H3,(H,28,30).
What are the key properties of N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylbenzamide?
N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylbenzamide has a molecular weight of 412.53 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-phenylpyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 43903864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).