N-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-4-phenylbenzamide

C26H27N3O2 — CID 24794963

IUPACN-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-4-phenylbenzamide
SMILESCN(C)C1CCN(C(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1
InChIInChI=1S/C26H27N3O2/c1-28(2)24-16-17-29(18-24)26(31)22-12-14-23(15-13-22)27-25(30)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-15,24H,16-18H2,1-2H3,(H,27,30)
InChIKeyZZFHNRIQTHVXOO-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.38
Rot. Bonds5

About N-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-4-phenylbenzamide

N-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-4-phenylbenzamide (PubChem CID 24794963) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is N-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-4-phenylbenzamide
PubChem CID24794963
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC NameN-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-4-phenylbenzamide
SMILESCN(C)C1CCN(C(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1
InChIInChI=1S/C26H27N3O2/c1-28(2)24-16-17-29(18-24)26(31)22-12-14-23(15-13-22)27-25(30)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-15,24H,16-18H2,1-2H3,(H,27,30)
InChIKeyZZFHNRIQTHVXOO-UHFFFAOYSA-N
XLogP4.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(dimethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175136
[4-(4-chlorophenyl)phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 126426652
4-benzamido-N-[4-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]benzamide
CID 58867650
(4-tert-butylphenyl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 121450401
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
[3-(dimethylamino)pyrrolidin-1-yl]-[4-(pyridin-2-ylamino)phenyl]methanone
CID 24794840
2-[4-[(3R)-3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]benzonitrile
CID 126453381
N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 46599278
N-[4-[4-(ethylaminomethyl)piperidine-1-carbonyl]phenyl]benzamide
CID 119647060
N-[4-[4-(dimethylamino)azepane-1-carbonyl]phenyl]acetamide
CID 136536271
(3S)-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703559
N-(4-cyclopropylphenyl)-4-phenylbenzamide
CID 123874228

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-4-phenylbenzamide?
The IUPAC name of N-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-4-phenylbenzamide (CID 24794963) is N-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-4-phenylbenzamide.
What is the SMILES notation for N-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-4-phenylbenzamide?
The canonical SMILES for N-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-4-phenylbenzamide is CN(C)C1CCN(C(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1.
What is the InChIKey of N-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-4-phenylbenzamide?
The InChIKey is ZZFHNRIQTHVXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-28(2)24-16-17-29(18-24)26(31)22-12-14-23(15-13-22)27-25(30)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-15,24H,16-18H2,1-2H3,(H,27,30).
What are the key properties of N-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-4-phenylbenzamide?
N-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-4-phenylbenzamide has a molecular weight of 413.52 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(dimethylamino)pyrrolidine-1-carbonyl]phenyl]-4-phenylbenzamide is sourced from PubChem (CID 24794963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).