N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide

C15H21BrN2O — CID 11595006

IUPACN-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)N(Cc1ccccc1Br)[C@H]1CCNC1
InChIInChI=1S/C15H21BrN2O/c1-11(2)15(19)18(13-7-8-17-9-13)10-12-5-3-4-6-14(12)16/h3-6,11,13,17H,7-10H2,1-2H3/t13-/m0/s1
InChIKeyRRAKSPPZHYSSIG-ZDUSSCGKSA-N
MW325.25 g/mol
LogP2.80
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide

N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide (PubChem CID 11595006) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
PubChem CID11595006
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
SMILESCC(C)C(=O)N(Cc1ccccc1Br)[C@H]1CCNC1
InChIInChI=1S/C15H21BrN2O/c1-11(2)15(19)18(13-7-8-17-9-13)10-12-5-3-4-6-14(12)16/h3-6,11,13,17H,7-10H2,1-2H3/t13-/m0/s1
InChIKeyRRAKSPPZHYSSIG-ZDUSSCGKSA-N
XLogP2.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(2-phenoxyphenyl)methyl]-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11709831
2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 54870992
N-[(2-chloro-4-fluorophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11623560
N-[(2,3-dichlorophenyl)methyl]-2-methyl-N-piperidin-4-ylpropanamide
CID 11587945
N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 44578112
(3R)-N-[(2-bromophenyl)methyl]-N-cyclopropylpiperidine-3-carboxamide
CID 81128811
2-(2-bromophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 83749686
2-(2-bromophenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119531842
N-[(2-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119912776
(2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide
CID 93370556
N-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide
CID 60756148
N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride
CID 172520075

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide (CID 11595006) is N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide is CC(C)C(=O)N(Cc1ccccc1Br)[C@H]1CCNC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
The InChIKey is RRAKSPPZHYSSIG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-11(2)15(19)18(13-7-8-17-9-13)10-12-5-3-4-6-14(12)16/h3-6,11,13,17H,7-10H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide?
N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide has a molecular weight of 325.25 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 11595006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).