1-(4-bromobenzoyl)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide

C18H15BrClFN2O2 — CID 167748566

IUPAC1-(4-bromobenzoyl)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)C1CCCN1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H15BrClFN2O2/c19-12-5-3-11(4-6-12)18(25)23-7-1-2-16(23)17(24)22-15-9-13(20)8-14(21)10-15/h3-6,8-10,16H,1-2,7H2,(H,22,24)
InChIKeyMNZBJENDNXKTLP-UHFFFAOYSA-N
MW425.69 g/mol
LogP4.48
Rot. Bonds3

About 1-(4-bromobenzoyl)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide

1-(4-bromobenzoyl)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide (PubChem CID 167748566) has the molecular formula C18H15BrClFN2O2 and a molecular weight of 425.69 g/mol. Its IUPAC name is 1-(4-bromobenzoyl)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-bromobenzoyl)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide
PubChem CID167748566
Molecular FormulaC18H15BrClFN2O2
Molecular Weight425.69 g/mol
Exact Mass424.00
IUPAC Name1-(4-bromobenzoyl)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cc(F)cc(Cl)c1)C1CCCN1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C18H15BrClFN2O2/c19-12-5-3-11(4-6-12)18(25)23-7-1-2-16(23)17(24)22-15-9-13(20)8-14(21)10-15/h3-6,8-10,16H,1-2,7H2,(H,22,24)
InChIKeyMNZBJENDNXKTLP-UHFFFAOYSA-N
XLogP4.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.69
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(4-bromobenzoyl)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dimethylphenyl)-1-(4-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 46745579
1-(4-bromobenzoyl)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 60612291
1-[4-(aminomethyl)benzoyl]-N-(3,5-dichlorophenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119293629
N-[4-(azepane-1-carbonyl)phenyl]-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 55887233
(2S)-1-(4-chlorobenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 92664894
(2R)-1-(2-chloropyridine-4-carbonyl)-N-(3,5-difluorophenyl)piperidine-2-carboxamide
CID 97018304
(2R)-1-(3-fluorobenzoyl)-N-(3-fluorophenyl)pyrrolidine-2-carboxamide
CID 51605341
(2S)-1-(4-chlorobenzoyl)-N-(2-fluorophenyl)pyrrolidine-2-carboxamide
CID 92664892
N-(4-bromophenyl)-1-[3-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxamide
CID 42950684
N-(2-bromo-4-fluorophenyl)-1-(3,4-dichlorobenzoyl)pyrrolidine-2-carboxamide
CID 112835545
N-(3,5-dichlorophenyl)-1-[3-(propanoylamino)benzoyl]pyrrolidine-2-carboxamide
CID 55873911
1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 46756185

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobenzoyl)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-bromobenzoyl)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide (CID 167748566) is 1-(4-bromobenzoyl)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-bromobenzoyl)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-bromobenzoyl)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide is O=C(Nc1cc(F)cc(Cl)c1)C1CCCN1C(=O)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromobenzoyl)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide?
The InChIKey is MNZBJENDNXKTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClFN2O2/c19-12-5-3-11(4-6-12)18(25)23-7-1-2-16(23)17(24)22-15-9-13(20)8-14(21)10-15/h3-6,8-10,16H,1-2,7H2,(H,22,24).
What are the key properties of 1-(4-bromobenzoyl)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide?
1-(4-bromobenzoyl)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide has a molecular weight of 425.69 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobenzoyl)-N-(3-chloro-5-fluorophenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 167748566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).