cis-(1S,2R)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide

C14H17ClN2O2 — CID 38635337

IUPACcis-(1S,2R)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-9-7-10(9)14(19)17(2)8-13(18)16-12-6-4-3-5-11(12)15/h3-6,9-10H,7-8H2,1-2H3,(H,16,18)/t9-,10+/m1/s1
InChIKeyWWBIVHBOKLWUQE-ZJUUUORDSA-N
MW280.75 g/mol
LogP2.39
Rot. Bonds4

About cis-(1S,2R)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide

cis-(1S,2R)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide (PubChem CID 38635337) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is cis-(1S,2R)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
PubChem CID38635337
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Namecis-(1S,2R)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@@H]1C(=O)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C14H17ClN2O2/c1-9-7-10(9)14(19)17(2)8-13(18)16-12-6-4-3-5-11(12)15/h3-6,9-10H,7-8H2,1-2H3,(H,16,18)/t9-,10+/m1/s1
InChIKeyWWBIVHBOKLWUQE-ZJUUUORDSA-N
XLogP2.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 9417409
(2S)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyloxolane-2-carboxamide
CID 38632443
N-[2-(2-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 31971689
cis-(1R,2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 2650123
2-(2-chloroanilino)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37471792
N-[2-(2-chloroanilino)-2-oxoethyl]-2-(2,6-dimethylmorpholin-4-yl)-N-methylacetamide
CID 51170480
N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 42907979
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 31971501
trans-(1R,2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 9441278
2-anilino-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylacetamide
CID 37229214
1-benzylsulfonyl-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methylpiperidine-4-carboxamide
CID 55690567
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1S,2R,3S)-2,3-dimethylcyclohexyl]acetamide
CID 11935793

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide (CID 38635337) is cis-(1S,2R)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide is C[C@@H]1C[C@@H]1C(=O)N(C)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of cis-(1S,2R)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is WWBIVHBOKLWUQE-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-9-7-10(9)14(19)17(2)8-13(18)16-12-6-4-3-5-11(12)15/h3-6,9-10H,7-8H2,1-2H3,(H,16,18)/t9-,10+/m1/s1.
What are the key properties of cis-(1S,2R)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide?
cis-(1S,2R)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 280.75 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 38635337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).