(2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide

C15H21BrN2O — CID 93370556

IUPAC(2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide
SMILESCCC[C@H](N)C(=O)N(Cc1ccccc1Br)C1CC1
InChIInChI=1S/C15H21BrN2O/c1-2-5-14(17)15(19)18(12-8-9-12)10-11-6-3-4-7-13(11)16/h3-4,6-7,12,14H,2,5,8-10,17H2,1H3/t14-/m0/s1
InChIKeyYAHLPDOCPVWPPE-AWEZNQCLSA-N
MW325.25 g/mol
LogP3.07
Rot. Bonds6

About (2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide

(2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide (PubChem CID 93370556) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide
PubChem CID93370556
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name(2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide
SMILESCCC[C@H](N)C(=O)N(Cc1ccccc1Br)C1CC1
InChIInChI=1S/C15H21BrN2O/c1-2-5-14(17)15(19)18(12-8-9-12)10-11-6-3-4-7-13(11)16/h3-4,6-7,12,14H,2,5,8-10,17H2,1H3/t14-/m0/s1
InChIKeyYAHLPDOCPVWPPE-AWEZNQCLSA-N
XLogP3.07
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 54870992
2-amino-N-[(5-bromo-2-ethoxyphenyl)methyl]-N-cyclopropylpentanamide
CID 119319329
2-amino-N-cyclopropyl-N-[(4-ethylphenyl)methyl]pentanamide
CID 60938574
(2S)-2-amino-N-cyclopropyl-N-(thiophen-2-ylmethyl)pentanamide
CID 93369625
N-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide
CID 60756148
(2S)-2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pentanamide
CID 93375654
N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride
CID 172520075
5-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-methylpentanamide
CID 82011057
2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]butanamide
CID 54872454
3-amino-N-[(2-bromophenyl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 64684688
N-[(2-bromophenyl)methyl]-2-methyl-N-[(3S)-pyrrolidin-3-yl]propanamide
CID 11595006
2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride
CID 119298871

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide?
The IUPAC name of (2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide (CID 93370556) is (2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide?
The canonical SMILES for (2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide is CCC[C@H](N)C(=O)N(Cc1ccccc1Br)C1CC1.
What is the InChIKey of (2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide?
The InChIKey is YAHLPDOCPVWPPE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-2-5-14(17)15(19)18(12-8-9-12)10-11-6-3-4-7-13(11)16/h3-4,6-7,12,14H,2,5,8-10,17H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide?
(2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide has a molecular weight of 325.25 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylpentanamide is sourced from PubChem (CID 93370556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).