N-[[1-(4-bromophenyl)cyclopropyl]methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide

C18H21BrN2O2 — CID 166410982

IUPACN-[[1-(4-bromophenyl)cyclopropyl]methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
SMILESC=CC(=O)N1CCCC1C(=O)NCC1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C18H21BrN2O2/c1-2-16(22)21-11-3-4-15(21)17(23)20-12-18(9-10-18)13-5-7-14(19)8-6-13/h2,5-8,15H,1,3-4,9-12H2,(H,20,23)
InChIKeyXJUMWBPHJBRFLP-UHFFFAOYSA-N
MW377.28 g/mol
LogP2.77
Rot. Bonds5

About N-[[1-(4-bromophenyl)cyclopropyl]methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide

N-[[1-(4-bromophenyl)cyclopropyl]methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide (PubChem CID 166410982) has the molecular formula C18H21BrN2O2 and a molecular weight of 377.28 g/mol. Its IUPAC name is N-[[1-(4-bromophenyl)cyclopropyl]methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-bromophenyl)cyclopropyl]methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
PubChem CID166410982
Molecular FormulaC18H21BrN2O2
Molecular Weight377.28 g/mol
Exact Mass376.08
IUPAC NameN-[[1-(4-bromophenyl)cyclopropyl]methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide
SMILESC=CC(=O)N1CCCC1C(=O)NCC1(c2ccc(Br)cc2)CC1
InChIInChI=1S/C18H21BrN2O2/c1-2-16(22)21-11-3-4-15(21)17(23)20-12-18(9-10-18)13-5-7-14(19)8-6-13/h2,5-8,15H,1,3-4,9-12H2,(H,20,23)
InChIKeyXJUMWBPHJBRFLP-UHFFFAOYSA-N
XLogP2.77
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopropanecarbonyl)-N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]pyrrolidine-2-carboxamide
CID 71918441
1-(4-bromobenzoyl)-N-[[1-[(dimethylamino)methyl]cyclopentyl]methyl]pyrrolidine-2-carboxamide
CID 75456839
N-[[4-(4-bromophenyl)oxan-4-yl]methyl]piperidine-2-carboxamide
CID 119314892
N-[[4-(4-bromophenyl)oxan-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119314901
N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 55745993
1-[[1-(4-bromophenyl)cyclobutyl]methyl]-3-(2-hydroxyethyl)urea
CID 110902757
(2S)-2-N-[[1-(3-methylphenyl)cyclohexyl]methyl]pyrrolidine-1,2-dicarboxamide
CID 71982060
(2S)-N-[(1-pyridin-4-ylcyclopropyl)methyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 164630609
4-[1-[[[(2S)-1-methyl-5-oxopyrrolidine-2-carbonyl]amino]methyl]cyclopropyl]benzoic acid
CID 166317726
1-(4-bromobenzoyl)-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 47091441
(2R)-1-(4-bromobenzoyl)-N-[2-(cyclopentanecarbonylamino)ethyl]pyrrolidine-2-carboxamide
CID 52831006
2-[(4-bromophenyl)methylcarbamoylcarbamoyl]pyrrolidine-1-carboxylic acid
CID 123734183

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-bromophenyl)cyclopropyl]methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide?
The IUPAC name of N-[[1-(4-bromophenyl)cyclopropyl]methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide (CID 166410982) is N-[[1-(4-bromophenyl)cyclopropyl]methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[1-(4-bromophenyl)cyclopropyl]methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[[1-(4-bromophenyl)cyclopropyl]methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide is C=CC(=O)N1CCCC1C(=O)NCC1(c2ccc(Br)cc2)CC1.
What is the InChIKey of N-[[1-(4-bromophenyl)cyclopropyl]methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide?
The InChIKey is XJUMWBPHJBRFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O2/c1-2-16(22)21-11-3-4-15(21)17(23)20-12-18(9-10-18)13-5-7-14(19)8-6-13/h2,5-8,15H,1,3-4,9-12H2,(H,20,23).
What are the key properties of N-[[1-(4-bromophenyl)cyclopropyl]methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide?
N-[[1-(4-bromophenyl)cyclopropyl]methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide has a molecular weight of 377.28 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-bromophenyl)cyclopropyl]methyl]-1-prop-2-enoylpyrrolidine-2-carboxamide is sourced from PubChem (CID 166410982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).