cis-(1S,2R)-2-[[2-(3-bromo-2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide

C15H19BrN2O2 — CID 100704809

IUPACcis-(1S,2R)-2-[[2-(3-bromo-2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide
SMILESCc1c(Br)cccc1CC(=O)N[C@@H]1CCC[C@@H]1C(N)=O
InChIInChI=1S/C15H19BrN2O2/c1-9-10(4-2-6-12(9)16)8-14(19)18-13-7-3-5-11(13)15(17)20/h2,4,6,11,13H,3,5,7-8H2,1H3,(H2,17,20)(H,18,19)/t11-,13+/m0/s1
InChIKeyKDYGQUADYRFVDV-WCQYABFASA-N
MW339.23 g/mol
LogP2.07
Rot. Bonds4

About cis-(1S,2R)-2-[[2-(3-bromo-2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide

cis-(1S,2R)-2-[[2-(3-bromo-2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide (PubChem CID 100704809) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is cis-(1S,2R)-2-[[2-(3-bromo-2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-[[2-(3-bromo-2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide
PubChem CID100704809
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Namecis-(1S,2R)-2-[[2-(3-bromo-2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide
SMILESCc1c(Br)cccc1CC(=O)N[C@@H]1CCC[C@@H]1C(N)=O
InChIInChI=1S/C15H19BrN2O2/c1-9-10(4-2-6-12(9)16)8-14(19)18-13-7-3-5-11(13)15(17)20/h2,4,6,11,13H,3,5,7-8H2,1H3,(H2,17,20)(H,18,19)/t11-,13+/m0/s1
InChIKeyKDYGQUADYRFVDV-WCQYABFASA-N
XLogP2.07
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-(7-methoxynaphthalen-1-yl)acetyl]amino]cyclopentane-1-carboxamide
CID 75388302
N-(2-carbamothioylcyclopentyl)-2-(2-methylphenyl)acetamide
CID 62957100
N-[2-(aminomethyl)cyclopentyl]-2-(2-bromophenyl)acetamide;hydrochloride
CID 119603681
2-[[2-[2-(aminomethyl)phenyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 81322034
2-(4-bromophenyl)-N-(2-carbamothioylcyclopentyl)acetamide
CID 62955197
2-[[2-(cyclohexen-1-yl)acetyl]amino]cyclopentane-1-carboxamide
CID 71989735
N-[2-(N'-hydroxycarbamimidoyl)cyclopentyl]-2-(2-methoxyphenyl)acetamide
CID 76978544
2-[[2-(2-chlorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 64812051
cis-(1S,2R)-2-[(6-methyl-2-pyridinyl)carbamoylamino]cyclopentane-1-carboxamide
CID 127266097
1-(3-bromo-2-methylphenyl)-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111636925
1-(3-bromo-2-methylphenyl)propan-2-one
CID 83709858
cis-methyl (1R,2S)-2-[[2-(2-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 97028755

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[[2-(3-bromo-2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-[[2-(3-bromo-2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide (CID 100704809) is cis-(1S,2R)-2-[[2-(3-bromo-2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-[[2-(3-bromo-2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-[[2-(3-bromo-2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide is Cc1c(Br)cccc1CC(=O)N[C@@H]1CCC[C@@H]1C(N)=O.
What is the InChIKey of cis-(1S,2R)-2-[[2-(3-bromo-2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide?
The InChIKey is KDYGQUADYRFVDV-WCQYABFASA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-9-10(4-2-6-12(9)16)8-14(19)18-13-7-3-5-11(13)15(17)20/h2,4,6,11,13H,3,5,7-8H2,1H3,(H2,17,20)(H,18,19)/t11-,13+/m0/s1.
What are the key properties of cis-(1S,2R)-2-[[2-(3-bromo-2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide?
cis-(1S,2R)-2-[[2-(3-bromo-2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide has a molecular weight of 339.23 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[[2-(3-bromo-2-methylphenyl)acetyl]amino]cyclopentane-1-carboxamide is sourced from PubChem (CID 100704809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).