N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]pyrrolidine-3-carboxamide

C16H21BrN2O — CID 167965461

IUPACN-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC1(Cc2cccc(Br)c2)CC1)C1CCNC1
InChIInChI=1S/C16H21BrN2O/c17-14-3-1-2-12(8-14)9-16(5-6-16)11-19-15(20)13-4-7-18-10-13/h1-3,8,13,18H,4-7,9-11H2,(H,19,20)
InChIKeyPAZPAZLIBXKSGG-UHFFFAOYSA-N
MW337.26 g/mol
LogP2.50
Rot. Bonds5

About N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]pyrrolidine-3-carboxamide

N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]pyrrolidine-3-carboxamide (PubChem CID 167965461) has the molecular formula C16H21BrN2O and a molecular weight of 337.26 g/mol. Its IUPAC name is N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]pyrrolidine-3-carboxamide
PubChem CID167965461
Molecular FormulaC16H21BrN2O
Molecular Weight337.26 g/mol
Exact Mass336.08
IUPAC NameN-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC1(Cc2cccc(Br)c2)CC1)C1CCNC1
InChIInChI=1S/C16H21BrN2O/c17-14-3-1-2-12(8-14)9-16(5-6-16)11-19-15(20)13-4-7-18-10-13/h1-3,8,13,18H,4-7,9-11H2,(H,19,20)
InChIKeyPAZPAZLIBXKSGG-UHFFFAOYSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3-bromophenyl)cyclobutyl]methyl]piperidine-3-carboxamide
CID 119301112
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119738816
N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]-3-cyanobenzamide
CID 166317885
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119699128
N-[(1-ethylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119782174
N-[[1-(hydroxymethyl)cyclohexyl]methyl]pyrrolidine-3-carboxamide
CID 112701948
N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024461
N-[[1-(4-chlorophenyl)cyclopentyl]methyl]pyrrolidine-3-carboxamide
CID 119749968
N-[(1-cyclopropylcyclopropyl)methyl]pyrrolidine-3-carboxamide
CID 104872740
2-(3-bromophenyl)-N-piperidin-3-ylacetamide;hydrochloride
CID 86812954
1-bromo-3-[(1-propylcyclopropyl)methyl]benzene
CID 143267542

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]pyrrolidine-3-carboxamide (CID 167965461) is N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]pyrrolidine-3-carboxamide is O=C(NCC1(Cc2cccc(Br)c2)CC1)C1CCNC1.
What is the InChIKey of N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]pyrrolidine-3-carboxamide?
The InChIKey is PAZPAZLIBXKSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN2O/c17-14-3-1-2-12(8-14)9-16(5-6-16)11-19-15(20)13-4-7-18-10-13/h1-3,8,13,18H,4-7,9-11H2,(H,19,20).
What are the key properties of N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]pyrrolidine-3-carboxamide?
N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]pyrrolidine-3-carboxamide has a molecular weight of 337.26 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-bromophenyl)methyl]cyclopropyl]methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 167965461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).