N-[2-(3-bromophenyl)ethyl]-2-(cyclopropylamino)acetamide

C13H17BrN2O — CID 115158540

IUPACN-[2-(3-bromophenyl)ethyl]-2-(cyclopropylamino)acetamide
SMILESO=C(CNC1CC1)NCCc1cccc(Br)c1
InChIInChI=1S/C13H17BrN2O/c14-11-3-1-2-10(8-11)6-7-15-13(17)9-16-12-4-5-12/h1-3,8,12,16H,4-7,9H2,(H,15,17)
InChIKeyQHRRPCBXWBQZBY-UHFFFAOYSA-N
MW297.20 g/mol
LogP1.86
Rot. Bonds6

About N-[2-(3-bromophenyl)ethyl]-2-(cyclopropylamino)acetamide

N-[2-(3-bromophenyl)ethyl]-2-(cyclopropylamino)acetamide (PubChem CID 115158540) has the molecular formula C13H17BrN2O and a molecular weight of 297.20 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)ethyl]-2-(cyclopropylamino)acetamide.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)ethyl]-2-(cyclopropylamino)acetamide
PubChem CID115158540
Molecular FormulaC13H17BrN2O
Molecular Weight297.20 g/mol
Exact Mass296.05
IUPAC NameN-[2-(3-bromophenyl)ethyl]-2-(cyclopropylamino)acetamide
SMILESO=C(CNC1CC1)NCCc1cccc(Br)c1
InChIInChI=1S/C13H17BrN2O/c14-11-3-1-2-10(8-11)6-7-15-13(17)9-16-12-4-5-12/h1-3,8,12,16H,4-7,9H2,(H,15,17)
InChIKeyQHRRPCBXWBQZBY-UHFFFAOYSA-N
XLogP1.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylamino)-N-[2-(3,4-difluorophenyl)ethyl]acetamide
CID 115158528
3-amino-N-[2-(3-bromophenyl)ethyl]propanamide
CID 94697083
2-(cyclopropylamino)-N-[2-[4-(hydroxymethyl)phenyl]ethyl]acetamide
CID 110012576
3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 127122417
2-(cyclopentylamino)-N-(2-pyridin-3-ylethyl)acetamide
CID 60912902
N-[2-(3-bromophenyl)ethyl]-2-(2,2-dimethoxyethylamino)acetamide;hydrochloride
CID 133061504
N-[2-(3-bromophenyl)ethyl]-4-methylpiperidine-1-carboxamide
CID 108901581
N-[2-(3-bromophenyl)ethyl]benzamide
CID 90847047
2-(cyclopropylamino)-N-(2-thiophen-2-ylethyl)acetamide
CID 60671964
2-(3-bromophenyl)-N-[2-(4-chlorophenyl)ethyl]acetamide
CID 113098238
N-[(3-chlorophenyl)methyl]-2-(cyclopropylamino)acetamide
CID 60647316
1-benzyl-3-[2-(3-bromophenyl)ethyl]urea
CID 108871346

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)ethyl]-2-(cyclopropylamino)acetamide?
The IUPAC name of N-[2-(3-bromophenyl)ethyl]-2-(cyclopropylamino)acetamide (CID 115158540) is N-[2-(3-bromophenyl)ethyl]-2-(cyclopropylamino)acetamide.
What is the SMILES notation for N-[2-(3-bromophenyl)ethyl]-2-(cyclopropylamino)acetamide?
The canonical SMILES for N-[2-(3-bromophenyl)ethyl]-2-(cyclopropylamino)acetamide is O=C(CNC1CC1)NCCc1cccc(Br)c1.
What is the InChIKey of N-[2-(3-bromophenyl)ethyl]-2-(cyclopropylamino)acetamide?
The InChIKey is QHRRPCBXWBQZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O/c14-11-3-1-2-10(8-11)6-7-15-13(17)9-16-12-4-5-12/h1-3,8,12,16H,4-7,9H2,(H,15,17).
What are the key properties of N-[2-(3-bromophenyl)ethyl]-2-(cyclopropylamino)acetamide?
N-[2-(3-bromophenyl)ethyl]-2-(cyclopropylamino)acetamide has a molecular weight of 297.20 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)ethyl]-2-(cyclopropylamino)acetamide is sourced from PubChem (CID 115158540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).