1-(4-bromobenzoyl)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]pyrrolidine-2-carboxamide

C21H30BrN3O2 — CID 75456839

IUPAC1-(4-bromobenzoyl)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]pyrrolidine-2-carboxamide
SMILESCN(C)CC1(CNC(=O)C2CCCN2C(=O)c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C21H30BrN3O2/c1-24(2)15-21(11-3-4-12-21)14-23-19(26)18-6-5-13-25(18)20(27)16-7-9-17(22)10-8-16/h7-10,18H,3-6,11-15H2,1-2H3,(H,23,26)
InChIKeyCQGXMWSMHKEUML-UHFFFAOYSA-N
MW436.39 g/mol
LogP3.29
Rot. Bonds6

About 1-(4-bromobenzoyl)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]pyrrolidine-2-carboxamide

1-(4-bromobenzoyl)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 75456839) has the molecular formula C21H30BrN3O2 and a molecular weight of 436.39 g/mol. Its IUPAC name is 1-(4-bromobenzoyl)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-bromobenzoyl)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]pyrrolidine-2-carboxamide
PubChem CID75456839
Molecular FormulaC21H30BrN3O2
Molecular Weight436.39 g/mol
Exact Mass435.15
IUPAC Name1-(4-bromobenzoyl)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]pyrrolidine-2-carboxamide
SMILESCN(C)CC1(CNC(=O)C2CCCN2C(=O)c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C21H30BrN3O2/c1-24(2)15-21(11-3-4-12-21)14-23-19(26)18-6-5-13-25(18)20(27)16-7-9-17(22)10-8-16/h7-10,18H,3-6,11-15H2,1-2H3,(H,23,26)
InChIKeyCQGXMWSMHKEUML-UHFFFAOYSA-N
XLogP3.29
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromobenzoyl)-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 47091441
methyl 5-[[1-(4-bromobenzoyl)pyrrolidine-2-carbonyl]amino]pentanoate
CID 60613077
3-[[1-(4-bromobenzoyl)pyrrolidine-2-carbonyl]amino]-2,2-dimethylpropanoic acid
CID 119250062
(2R)-1-(4-bromobenzoyl)-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-2-carboxamide
CID 52831006
4-[[1-(4-bromobenzoyl)pyrrolidine-2-carbonyl]amino]butanoic acid
CID 119170941
1-(4-bromobenzoyl)-N-[(2R)-2-(ethylamino)propyl]pyrrolidine-2-carboxamide
CID 120654985
2-[[1-(4-bromobenzoyl)pyrrolidine-2-carbonyl]-methylamino]acetic acid
CID 119172337
1-(4-bromobenzoyl)-N-[(2S)-1-hydroxybutan-2-yl]pyrrolidine-2-carboxamide
CID 86803364
1-(4-bromobenzoyl)-N-(4-iodophenyl)pyrrolidine-2-carboxamide
CID 60612291
(2R)-N-[(1-ethylcyclobutyl)methyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 97011673
N-[[1-(4-bromophenyl)cyclopropyl]methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 166410982
[1-(4-bromobenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357643

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromobenzoyl)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(4-bromobenzoyl)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]pyrrolidine-2-carboxamide (CID 75456839) is 1-(4-bromobenzoyl)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4-bromobenzoyl)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4-bromobenzoyl)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]pyrrolidine-2-carboxamide is CN(C)CC1(CNC(=O)C2CCCN2C(=O)c2ccc(Br)cc2)CCCC1.
What is the InChIKey of 1-(4-bromobenzoyl)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is CQGXMWSMHKEUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30BrN3O2/c1-24(2)15-21(11-3-4-12-21)14-23-19(26)18-6-5-13-25(18)20(27)16-7-9-17(22)10-8-16/h7-10,18H,3-6,11-15H2,1-2H3,(H,23,26).
What are the key properties of 1-(4-bromobenzoyl)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]pyrrolidine-2-carboxamide?
1-(4-bromobenzoyl)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 436.39 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobenzoyl)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 75456839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).