cis-(1R,2S)-2-(3-bromophenyl)-N-[(2R)-2-(dimethylamino)propyl]cyclopropane-1-carboxamide

C15H21BrN2O — CID 95155854

IUPACcis-(1R,2S)-2-(3-bromophenyl)-N-[(2R)-2-(dimethylamino)propyl]cyclopropane-1-carboxamide
SMILESC[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)N(C)C
InChIInChI=1S/C15H21BrN2O/c1-10(18(2)3)9-17-15(19)14-8-13(14)11-5-4-6-12(16)7-11/h4-7,10,13-14H,8-9H2,1-3H3,(H,17,19)/t10-,13-,14-/m1/s1
InChIKeyDQLYMSNUEXVEHB-LERXQTSPSA-N
MW325.25 g/mol
LogP2.62
Rot. Bonds5

About cis-(1R,2S)-2-(3-bromophenyl)-N-[(2R)-2-(dimethylamino)propyl]cyclopropane-1-carboxamide

cis-(1R,2S)-2-(3-bromophenyl)-N-[(2R)-2-(dimethylamino)propyl]cyclopropane-1-carboxamide (PubChem CID 95155854) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is cis-(1R,2S)-2-(3-bromophenyl)-N-[(2R)-2-(dimethylamino)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2S)-2-(3-bromophenyl)-N-[(2R)-2-(dimethylamino)propyl]cyclopropane-1-carboxamide
PubChem CID95155854
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Namecis-(1R,2S)-2-(3-bromophenyl)-N-[(2R)-2-(dimethylamino)propyl]cyclopropane-1-carboxamide
SMILESC[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)N(C)C
InChIInChI=1S/C15H21BrN2O/c1-10(18(2)3)9-17-15(19)14-8-13(14)11-5-4-6-12(16)7-11/h4-7,10,13-14H,8-9H2,1-3H3,(H,17,19)/t10-,13-,14-/m1/s1
InChIKeyDQLYMSNUEXVEHB-LERXQTSPSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 120650416
trans-(1R,2R)-2-(3-bromophenyl)-N-methoxycyclopropane-1-carboxamide
CID 94813050
methyl 3-[[(1S,2S)-2-(3-bromophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95284135
3-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119220666
N-(3-aminopropyl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119408418
2-(3-bromophenyl)-N-[(4-methoxyphenyl)methyl]cyclopropane-1-carboxamide
CID 49156347
trans-(1S,2S)-2-(3-bromophenyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 94800328
methyl 5-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]pentanoate
CID 49197372
7-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]heptanoic acid
CID 119227195
N-[3-(aminomethyl)pentan-3-yl]-2-(3-bromophenyl)cyclopropane-1-carboxamide
CID 119571568
N-(1-amino-2-methylpropan-2-yl)-2-(3-bromophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119524603
cis-(1S,2R)-2-(3-bromophenyl)-N-[(1S)-1-pyridin-4-ylethyl]cyclopropane-1-carboxamide
CID 124729482

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-(3-bromophenyl)-N-[(2R)-2-(dimethylamino)propyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2S)-2-(3-bromophenyl)-N-[(2R)-2-(dimethylamino)propyl]cyclopropane-1-carboxamide (CID 95155854) is cis-(1R,2S)-2-(3-bromophenyl)-N-[(2R)-2-(dimethylamino)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2S)-2-(3-bromophenyl)-N-[(2R)-2-(dimethylamino)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2S)-2-(3-bromophenyl)-N-[(2R)-2-(dimethylamino)propyl]cyclopropane-1-carboxamide is C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc(Br)c1)N(C)C.
What is the InChIKey of cis-(1R,2S)-2-(3-bromophenyl)-N-[(2R)-2-(dimethylamino)propyl]cyclopropane-1-carboxamide?
The InChIKey is DQLYMSNUEXVEHB-LERXQTSPSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10(18(2)3)9-17-15(19)14-8-13(14)11-5-4-6-12(16)7-11/h4-7,10,13-14H,8-9H2,1-3H3,(H,17,19)/t10-,13-,14-/m1/s1.
What are the key properties of cis-(1R,2S)-2-(3-bromophenyl)-N-[(2R)-2-(dimethylamino)propyl]cyclopropane-1-carboxamide?
cis-(1R,2S)-2-(3-bromophenyl)-N-[(2R)-2-(dimethylamino)propyl]cyclopropane-1-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2S)-2-(3-bromophenyl)-N-[(2R)-2-(dimethylamino)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95155854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).