1-(4-bromo-3-methylphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide

C17H24BrN3O2 — CID 120653013

IUPAC1-(4-bromo-3-methylphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN[C@H](C)CNC(=O)C1CC(=O)N(c2ccc(Br)c(C)c2)C1
InChIInChI=1S/C17H24BrN3O2/c1-4-19-12(3)9-20-17(23)13-8-16(22)21(10-13)14-5-6-15(18)11(2)7-14/h5-7,12-13,19H,4,8-10H2,1-3H3,(H,20,23)/t12-,13?/m1/s1
InChIKeyKPDZHHKWOZABRT-PZORYLMUSA-N
MW382.30 g/mol
LogP2.22
Rot. Bonds6

About 1-(4-bromo-3-methylphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide

1-(4-bromo-3-methylphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 120653013) has the molecular formula C17H24BrN3O2 and a molecular weight of 382.30 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID120653013
Molecular FormulaC17H24BrN3O2
Molecular Weight382.30 g/mol
Exact Mass381.11
IUPAC Name1-(4-bromo-3-methylphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN[C@H](C)CNC(=O)C1CC(=O)N(c2ccc(Br)c(C)c2)C1
InChIInChI=1S/C17H24BrN3O2/c1-4-19-12(3)9-20-17(23)13-8-16(22)21(10-13)14-5-6-15(18)11(2)7-14/h5-7,12-13,19H,4,8-10H2,1-3H3,(H,20,23)/t12-,13?/m1/s1
InChIKeyKPDZHHKWOZABRT-PZORYLMUSA-N
XLogP2.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-(4-bromo-3-methylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838720
N-[(2R)-2-(ethylamino)propyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120653192
1-(4-bromo-3-methylphenyl)-N-butan-2-yl-5-oxopyrrolidine-3-carboxamide
CID 113190392
N-[(2R)-2-(ethylamino)propyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 120650711
N-benzyl-1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55579173
(2R)-2-[[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]propanoic acid
CID 119243981
ethyl N-[[1-(4-bromo-3-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]carbamate
CID 46581535
N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 120650497
N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120650496
(3S)-1-(4-bromo-3-methylphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 25348516
1-(4-bromo-3-methylphenyl)-5-oxo-N-[1-[4-(propanoylamino)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 46436911
1-(4-bromo-3-methylphenyl)-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 56543919

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide (CID 120653013) is 1-(4-bromo-3-methylphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide is CCN[C@H](C)CNC(=O)C1CC(=O)N(c2ccc(Br)c(C)c2)C1.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KPDZHHKWOZABRT-PZORYLMUSA-N. The full InChI is InChI=1S/C17H24BrN3O2/c1-4-19-12(3)9-20-17(23)13-8-16(22)21(10-13)14-5-6-15(18)11(2)7-14/h5-7,12-13,19H,4,8-10H2,1-3H3,(H,20,23)/t12-,13?/m1/s1.
What are the key properties of 1-(4-bromo-3-methylphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide?
1-(4-bromo-3-methylphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 382.30 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-N-[(2R)-2-(ethylamino)propyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 120653013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).