3-(2-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide

C14H21BrN2O — CID 120654083

IUPAC3-(2-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
SMILESCCN[C@H](C)CNC(=O)CCc1ccccc1Br
InChIInChI=1S/C14H21BrN2O/c1-3-16-11(2)10-17-14(18)9-8-12-6-4-5-7-13(12)15/h4-7,11,16H,3,8-10H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyJOUSQIWYXAGRCV-LLVKDONJSA-N
MW313.24 g/mol
LogP2.50
Rot. Bonds7

About 3-(2-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide

3-(2-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide (PubChem CID 120654083) has the molecular formula C14H21BrN2O and a molecular weight of 313.24 g/mol. Its IUPAC name is 3-(2-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide.

Molecular Properties

Compound Name3-(2-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
PubChem CID120654083
Molecular FormulaC14H21BrN2O
Molecular Weight313.24 g/mol
Exact Mass312.08
IUPAC Name3-(2-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
SMILESCCN[C@H](C)CNC(=O)CCc1ccccc1Br
InChIInChI=1S/C14H21BrN2O/c1-3-16-11(2)10-17-14(18)9-8-12-6-4-5-7-13(12)15/h4-7,11,16H,3,8-10H2,1-2H3,(H,17,18)/t11-/m1/s1
InChIKeyJOUSQIWYXAGRCV-LLVKDONJSA-N
XLogP2.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-3-(2-methoxyphenyl)propanamide
CID 120652535
3-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120653201
N-[(2R)-2-(ethylamino)propyl]-2-(2-ethylphenoxy)acetamide;hydrochloride
CID 120653148
3-(2-bromophenyl)-N-hydroxypropanamide
CID 130732789
N-[(2R)-2-(ethylamino)propyl]-2-(2-methoxyphenyl)acetamide
CID 120652529
3-(4-tert-butylphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120652975
3-(2-bromophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]propanamide
CID 110899131
3-(2,5-dimethoxyphenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120650953
3-(2-bromophenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 51085814
(2S,3S)-2-[3-(2-bromophenyl)propanoylamino]-3-methylpentanoic acid
CID 119193793
N-[(2R)-2-(ethylamino)propyl]-3-thiophen-3-ylpropanamide
CID 120653069
N-(2-amino-2-ethylbutyl)-3-(2-bromophenyl)propanamide;hydrochloride
CID 119643020

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide?
The IUPAC name of 3-(2-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide (CID 120654083) is 3-(2-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide.
What is the SMILES notation for 3-(2-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide?
The canonical SMILES for 3-(2-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide is CCN[C@H](C)CNC(=O)CCc1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide?
The InChIKey is JOUSQIWYXAGRCV-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21BrN2O/c1-3-16-11(2)10-17-14(18)9-8-12-6-4-5-7-13(12)15/h4-7,11,16H,3,8-10H2,1-2H3,(H,17,18)/t11-/m1/s1.
What are the key properties of 3-(2-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide?
3-(2-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide has a molecular weight of 313.24 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide is sourced from PubChem (CID 120654083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).