trans-(1R,2R)-N-(5-acetamido-2-chlorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide

C16H15ClN2O3 — CID 95178804

IUPACtrans-(1R,2R)-N-(5-acetamido-2-chlorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2C[C@H]2c2ccco2)c1
InChIInChI=1S/C16H15ClN2O3/c1-9(20)18-10-4-5-13(17)14(7-10)19-16(21)12-8-11(12)15-3-2-6-22-15/h2-7,11-12H,8H2,1H3,(H,18,20)(H,19,21)/t11-,12-/m1/s1
InChIKeyWAZQEWCLKXTHHK-VXGBXAGGSA-N
MW318.76 g/mol
LogP3.63
Rot. Bonds4

About trans-(1R,2R)-N-(5-acetamido-2-chlorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-(5-acetamido-2-chlorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide (PubChem CID 95178804) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is trans-(1R,2R)-N-(5-acetamido-2-chlorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-(5-acetamido-2-chlorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
PubChem CID95178804
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Nametrans-(1R,2R)-N-(5-acetamido-2-chlorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESCC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2C[C@H]2c2ccco2)c1
InChIInChI=1S/C16H15ClN2O3/c1-9(20)18-10-4-5-13(17)14(7-10)19-16(21)12-8-11(12)15-3-2-6-22-15/h2-7,11-12H,8H2,1H3,(H,18,20)(H,19,21)/t11-,12-/m1/s1
InChIKeyWAZQEWCLKXTHHK-VXGBXAGGSA-N
XLogP3.63
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamido-4-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86851825
methyl 4-chloro-3-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]benzoate
CID 86851547
2-chloro-5-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]-N,N-dimethylbenzamide
CID 86851775
N-(4-chloro-2-methylphenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449751
2-[(5-acetamido-2-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119180306
5-[[(1R,2R)-2-(furan-2-yl)cyclopropanecarbonyl]amino]-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
CID 166375052
N-[2-(dimethylamino)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449970
ethyl N-[4-[[2-(furan-2-yl)cyclopropanecarbonyl]amino]phenyl]carbamate
CID 86851812
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86851777
N-(4-ethoxy-3-fluorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 86851939
2-(furan-2-yl)-N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)cyclopropane-1-carboxamide
CID 86852022
N-(5-acetamido-2-chlorophenyl)piperidine-4-carboxamide
CID 119280735

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-(5-acetamido-2-chlorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-(5-acetamido-2-chlorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide (CID 95178804) is trans-(1R,2R)-N-(5-acetamido-2-chlorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-(5-acetamido-2-chlorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-(5-acetamido-2-chlorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide is CC(=O)Nc1ccc(Cl)c(NC(=O)[C@@H]2C[C@H]2c2ccco2)c1.
What is the InChIKey of trans-(1R,2R)-N-(5-acetamido-2-chlorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is WAZQEWCLKXTHHK-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-9(20)18-10-4-5-13(17)14(7-10)19-16(21)12-8-11(12)15-3-2-6-22-15/h2-7,11-12H,8H2,1H3,(H,18,20)(H,19,21)/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-N-(5-acetamido-2-chlorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide?
trans-(1R,2R)-N-(5-acetamido-2-chlorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 318.76 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-(5-acetamido-2-chlorophenyl)-2-(furan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95178804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).