(3R)-3-[[2-(4-bromobenzoyl)benzoyl]amino]pyrrolidine-1-carboxamide

C19H18BrN3O3 — CID 99807958

IUPAC(3R)-3-[[2-(4-bromobenzoyl)benzoyl]amino]pyrrolidine-1-carboxamide
SMILESNC(=O)N1CC[C@@H](NC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C19H18BrN3O3/c20-13-7-5-12(6-8-13)17(24)15-3-1-2-4-16(15)18(25)22-14-9-10-23(11-14)19(21)26/h1-8,14H,9-11H2,(H2,21,26)(H,22,25)/t14-/m1/s1
InChIKeyUCWGYDGVCTVJFR-CQSZACIVSA-N
MW416.28 g/mol
LogP2.56
Rot. Bonds4

About (3R)-3-[[2-(4-bromobenzoyl)benzoyl]amino]pyrrolidine-1-carboxamide

(3R)-3-[[2-(4-bromobenzoyl)benzoyl]amino]pyrrolidine-1-carboxamide (PubChem CID 99807958) has the molecular formula C19H18BrN3O3 and a molecular weight of 416.28 g/mol. Its IUPAC name is (3R)-3-[[2-(4-bromobenzoyl)benzoyl]amino]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[[2-(4-bromobenzoyl)benzoyl]amino]pyrrolidine-1-carboxamide
PubChem CID99807958
Molecular FormulaC19H18BrN3O3
Molecular Weight416.28 g/mol
Exact Mass415.05
IUPAC Name(3R)-3-[[2-(4-bromobenzoyl)benzoyl]amino]pyrrolidine-1-carboxamide
SMILESNC(=O)N1CC[C@@H](NC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C19H18BrN3O3/c20-13-7-5-12(6-8-13)17(24)15-3-1-2-4-16(15)18(25)22-14-9-10-23(11-14)19(21)26/h1-8,14H,9-11H2,(H2,21,26)(H,22,25)/t14-/m1/s1
InChIKeyUCWGYDGVCTVJFR-CQSZACIVSA-N
XLogP2.56
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.28
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[2-(4-bromobenzoyl)benzoyl]amino]piperidine-1-carboxylate
CID 36884910
2-(4-bromobenzoyl)-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 55721530
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-hydroxybenzamide
CID 108551354
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chlorobenzamide
CID 108550788
[2-(3-aminopyrrolidine-1-carbonyl)phenyl]-(4-bromophenyl)methanone
CID 126776764
4-bromo-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108550521
3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidine-1-carboxamide
CID 18452994
4-[[2-(4-chlorobenzoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 46530497
(4-bromophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81466873
2-[(4-bromobenzoyl)amino]-N-cyclopropylbenzamide
CID 7729400
2-amino-N-[1-(cyclohexanecarbonyl)pyrrolidin-3-yl]benzamide;hydrochloride
CID 119945821
3-[[4-[(N-methylanilino)methyl]benzoyl]amino]pyrrolidine-1-carboxamide
CID 167931062

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[2-(4-bromobenzoyl)benzoyl]amino]pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-[[2-(4-bromobenzoyl)benzoyl]amino]pyrrolidine-1-carboxamide (CID 99807958) is (3R)-3-[[2-(4-bromobenzoyl)benzoyl]amino]pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[[2-(4-bromobenzoyl)benzoyl]amino]pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-[[2-(4-bromobenzoyl)benzoyl]amino]pyrrolidine-1-carboxamide is NC(=O)N1CC[C@@H](NC(=O)c2ccccc2C(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of (3R)-3-[[2-(4-bromobenzoyl)benzoyl]amino]pyrrolidine-1-carboxamide?
The InChIKey is UCWGYDGVCTVJFR-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18BrN3O3/c20-13-7-5-12(6-8-13)17(24)15-3-1-2-4-16(15)18(25)22-14-9-10-23(11-14)19(21)26/h1-8,14H,9-11H2,(H2,21,26)(H,22,25)/t14-/m1/s1.
What are the key properties of (3R)-3-[[2-(4-bromobenzoyl)benzoyl]amino]pyrrolidine-1-carboxamide?
(3R)-3-[[2-(4-bromobenzoyl)benzoyl]amino]pyrrolidine-1-carboxamide has a molecular weight of 416.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[2-(4-bromobenzoyl)benzoyl]amino]pyrrolidine-1-carboxamide is sourced from PubChem (CID 99807958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).