cis-(1S,2R)-2-(3-bromophenyl)-N-[(1S)-1-pyridin-4-ylethyl]cyclopropane-1-carboxamide

C17H17BrN2O — CID 124729482

IUPACcis-(1S,2R)-2-(3-bromophenyl)-N-[(1S)-1-pyridin-4-ylethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1)c1ccncc1
InChIInChI=1S/C17H17BrN2O/c1-11(12-5-7-19-8-6-12)20-17(21)16-10-15(16)13-3-2-4-14(18)9-13/h2-9,11,15-16H,10H2,1H3,(H,20,21)/t11-,15-,16-/m0/s1
InChIKeyGDKBHXHXMCDYER-UVBJJODRSA-N
MW345.24 g/mol
LogP3.83
Rot. Bonds4

About cis-(1S,2R)-2-(3-bromophenyl)-N-[(1S)-1-pyridin-4-ylethyl]cyclopropane-1-carboxamide

cis-(1S,2R)-2-(3-bromophenyl)-N-[(1S)-1-pyridin-4-ylethyl]cyclopropane-1-carboxamide (PubChem CID 124729482) has the molecular formula C17H17BrN2O and a molecular weight of 345.24 g/mol. Its IUPAC name is cis-(1S,2R)-2-(3-bromophenyl)-N-[(1S)-1-pyridin-4-ylethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-(3-bromophenyl)-N-[(1S)-1-pyridin-4-ylethyl]cyclopropane-1-carboxamide
PubChem CID124729482
Molecular FormulaC17H17BrN2O
Molecular Weight345.24 g/mol
Exact Mass344.05
IUPAC Namecis-(1S,2R)-2-(3-bromophenyl)-N-[(1S)-1-pyridin-4-ylethyl]cyclopropane-1-carboxamide
SMILESC[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1)c1ccncc1
InChIInChI=1S/C17H17BrN2O/c1-11(12-5-7-19-8-6-12)20-17(21)16-10-15(16)13-3-2-4-14(18)9-13/h2-9,11,15-16H,10H2,1H3,(H,20,21)/t11-,15-,16-/m0/s1
InChIKeyGDKBHXHXMCDYER-UVBJJODRSA-N
XLogP3.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze cis-(1S,2R)-2-(3-bromophenyl)-N-[(1S)-1-pyridin-4-ylethyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

3-[[2-(3-bromophenyl)cyclopropanecarbonyl]amino]butanoic acid
CID 119220666
trans-(1R,2R)-N-[(1R)-2-amino-2-oxo-1-phenylethyl]-2-(3-bromophenyl)cyclopropane-1-carboxamide
CID 124787259
2-[1-(3-bromophenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54868050
trans-(1R,2R)-2-(3-bromophenyl)-N-methoxycyclopropane-1-carboxamide
CID 94813050
2-pyridin-3-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]cyclopropane-1-carboxamide
CID 49323730
2-(3-bromophenyl)-N-[(1-methylimidazol-2-yl)-phenylmethyl]cyclopropane-1-carboxamide
CID 49158229
cis-(1R,2S)-2-(3-bromophenyl)-N-[(2R)-2-(dimethylamino)propyl]cyclopropane-1-carboxamide
CID 95155854
6-[[(1R)-1-pyridin-4-ylethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 81404994
cis-(1S,2R)-2-[[(1S)-1-pyridin-4-ylethyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 114092665
2-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 120650416
(1S,6R)-6-[[(1S)-1-(3-bromophenyl)ethyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962593
2-[1-(3-bromophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60941223

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(3-bromophenyl)-N-[(1S)-1-pyridin-4-ylethyl]cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-(3-bromophenyl)-N-[(1S)-1-pyridin-4-ylethyl]cyclopropane-1-carboxamide (CID 124729482) is cis-(1S,2R)-2-(3-bromophenyl)-N-[(1S)-1-pyridin-4-ylethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-(3-bromophenyl)-N-[(1S)-1-pyridin-4-ylethyl]cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-(3-bromophenyl)-N-[(1S)-1-pyridin-4-ylethyl]cyclopropane-1-carboxamide is C[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(Br)c1)c1ccncc1.
What is the InChIKey of cis-(1S,2R)-2-(3-bromophenyl)-N-[(1S)-1-pyridin-4-ylethyl]cyclopropane-1-carboxamide?
The InChIKey is GDKBHXHXMCDYER-UVBJJODRSA-N. The full InChI is InChI=1S/C17H17BrN2O/c1-11(12-5-7-19-8-6-12)20-17(21)16-10-15(16)13-3-2-4-14(18)9-13/h2-9,11,15-16H,10H2,1H3,(H,20,21)/t11-,15-,16-/m0/s1.
What are the key properties of cis-(1S,2R)-2-(3-bromophenyl)-N-[(1S)-1-pyridin-4-ylethyl]cyclopropane-1-carboxamide?
cis-(1S,2R)-2-(3-bromophenyl)-N-[(1S)-1-pyridin-4-ylethyl]cyclopropane-1-carboxamide has a molecular weight of 345.24 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(3-bromophenyl)-N-[(1S)-1-pyridin-4-ylethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 124729482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).