2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide;hydrochloride

C15H22BrClN2O — CID 120650416

IUPAC2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C1CC1c1cccc(Br)c1.Cl
InChIInChI=1S/C15H21BrN2O.ClH/c1-3-17-10(2)9-18-15(19)14-8-13(14)11-5-4-6-12(16)7-11;/h4-7,10,13-14,17H,3,8-9H2,1-2H3,(H,18,19);1H/t10-,13?,14?;/m1./s1
InChIKeyUNCHPWSWJANXNA-UWLACYOPSA-N
MW361.71 g/mol
LogP3.09
Rot. Bonds6

About 2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide;hydrochloride

2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 120650416) has the molecular formula C15H22BrClN2O and a molecular weight of 361.71 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID120650416
Molecular FormulaC15H22BrClN2O
Molecular Weight361.71 g/mol
Exact Mass360.06
IUPAC Name2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)C1CC1c1cccc(Br)c1.Cl
InChIInChI=1S/C15H21BrN2O.ClH/c1-3-17-10(2)9-18-15(19)14-8-13(14)11-5-4-6-12(16)7-11;/h4-7,10,13-14,17H,3,8-9H2,1-2H3,(H,18,19);1H/t10-,13?,14?;/m1./s1
InChIKeyUNCHPWSWJANXNA-UWLACYOPSA-N
XLogP3.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.71
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2S)-2-(3-bromophenyl)-N-[(2R)-2-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 95155854
N-[(2R)-2-(ethylamino)propyl]-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 120650795
N-[(2R)-2-(ethylamino)propyl]-2-naphthalen-2-ylcyclopropane-1-carboxamide
CID 120650801
trans-(1R,2R)-2-(3-bromophenyl)-N-methoxycyclopropane-1-carboxamide
CID 94813050
3-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119220666
2-(2,3-dichlorophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide
CID 120650745
2-(3-chlorophenyl)-N-[2-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 120829453
N-(3-aminopropyl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119408418
methyl 3-[[(1S,2S)-2-(3-bromophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95284135
N-(1-amino-2-methylpropan-2-yl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119524603
N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119571567
2-(3-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 49156347

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide;hydrochloride (CID 120650416) is 2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide;hydrochloride is CCN[C@H](C)CNC(=O)C1CC1c1cccc(Br)c1.Cl.
What is the InChIKey of 2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is UNCHPWSWJANXNA-UWLACYOPSA-N. The full InChI is InChI=1S/C15H21BrN2O.ClH/c1-3-17-10(2)9-18-15(19)14-8-13(14)11-5-4-6-12(16)7-11;/h4-7,10,13-14,17H,3,8-9H2,1-2H3,(H,18,19);1H/t10-,13?,14?;/m1./s1.
What are the key properties of 2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide;hydrochloride?
2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 361.71 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 120650416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).