1-(2-bromophenyl)-N-cyclopropyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

C19H25BrN2O2 — CID 55733249

IUPAC1-(2-bromophenyl)-N-cyclopropyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCN(C(=O)C1CC(=O)N(c2ccccc2Br)C1)C1CC1
InChIInChI=1S/C19H25BrN2O2/c1-13(2)9-10-21(15-7-8-15)19(24)14-11-18(23)22(12-14)17-6-4-3-5-16(17)20/h3-6,13-15H,7-12H2,1-2H3
InChIKeyBHDSYMKEESZRHM-UHFFFAOYSA-N
MW393.33 g/mol
LogP3.84
Rot. Bonds6

About 1-(2-bromophenyl)-N-cyclopropyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide

1-(2-bromophenyl)-N-cyclopropyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 55733249) has the molecular formula C19H25BrN2O2 and a molecular weight of 393.33 g/mol. Its IUPAC name is 1-(2-bromophenyl)-N-cyclopropyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-N-cyclopropyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID55733249
Molecular FormulaC19H25BrN2O2
Molecular Weight393.33 g/mol
Exact Mass392.11
IUPAC Name1-(2-bromophenyl)-N-cyclopropyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CCN(C(=O)C1CC(=O)N(c2ccccc2Br)C1)C1CC1
InChIInChI=1S/C19H25BrN2O2/c1-13(2)9-10-21(15-7-8-15)19(24)14-11-18(23)22(12-14)17-6-4-3-5-16(17)20/h3-6,13-15H,7-12H2,1-2H3
InChIKeyBHDSYMKEESZRHM-UHFFFAOYSA-N
XLogP3.84
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-bromophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 46582372
1-(2-bromophenyl)-N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 46598416
(2S)-2-[[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-4-methylpentanoic acid
CID 119362047
1-(2-fluorophenyl)-N,N-bis(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 18886103
1-(2-bromophenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 46671576
3-[[1-(2-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]-(2-methylpropyl)amino]propanoic acid
CID 119190608
methyl 3-[benzyl-[1-(2-bromophenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoate
CID 55582309
1-(2-bromophenyl)-N-[(2-fluorophenyl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42952625
(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838716
(3S)-1-(2-bromophenyl)-N-ethoxy-5-oxopyrrolidine-3-carboxamide
CID 52570395
1-(2-bromophenyl)-N-(1-methoxypropan-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 46584108
1-(2-chlorophenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide;hydrochloride
CID 119823179

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-N-cyclopropyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bromophenyl)-N-cyclopropyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide (CID 55733249) is 1-(2-bromophenyl)-N-cyclopropyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)-N-cyclopropyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)-N-cyclopropyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CCN(C(=O)C1CC(=O)N(c2ccccc2Br)C1)C1CC1.
What is the InChIKey of 1-(2-bromophenyl)-N-cyclopropyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BHDSYMKEESZRHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25BrN2O2/c1-13(2)9-10-21(15-7-8-15)19(24)14-11-18(23)22(12-14)17-6-4-3-5-16(17)20/h3-6,13-15H,7-12H2,1-2H3.
What are the key properties of 1-(2-bromophenyl)-N-cyclopropyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide?
1-(2-bromophenyl)-N-cyclopropyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 393.33 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-N-cyclopropyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 55733249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).