trans-(1R,2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide

C14H17ClN2O2 — CID 9417409

IUPACtrans-(1R,2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)N(C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O2/c1-9-7-12(9)14(19)17(2)8-13(18)16-11-5-3-10(15)4-6-11/h3-6,9,12H,7-8H2,1-2H3,(H,16,18)/t9-,12-/m1/s1
InChIKeyWVJNAPDNMIEJLA-BXKDBHETSA-N
MW280.75 g/mol
LogP2.39
Rot. Bonds4

About trans-(1R,2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide (PubChem CID 9417409) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is trans-(1R,2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
PubChem CID9417409
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Nametrans-(1R,2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)N(C)CC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H17ClN2O2/c1-9-7-12(9)14(19)17(2)8-13(18)16-11-5-3-10(15)4-6-11/h3-6,9,12H,7-8H2,1-2H3,(H,16,18)/t9-,12-/m1/s1
InChIKeyWVJNAPDNMIEJLA-BXKDBHETSA-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

N,2-dimethyl-N-[2-(4-methylanilino)-2-oxoethyl]cyclopropane-1-carboxamide
CID 42907979
trans-(1R,2R)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 9441278
cis-(1S,2R)-N-[2-(2-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 38635337
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 25162519
trans-(1S,2S)-N-(4-chlorophenyl)-2-methylcyclopropane-1-carboxamide
CID 2553201
cis-(1R,2S)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 2650123
3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 63679192
3-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 62729410
2-[(4-chlorophenyl)carbamothioyl-methylamino]-N-(4-methylphenyl)acetamide
CID 8742338
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9167461
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-(4-chlorophenyl)acetamide
CID 61231081
N-(2-anilino-2-oxoethyl)-N,2-dimethylpyrrolidine-3-carboxamide
CID 79389093

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide (CID 9417409) is trans-(1R,2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide is C[C@@H]1C[C@H]1C(=O)N(C)CC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of trans-(1R,2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is WVJNAPDNMIEJLA-BXKDBHETSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-9-7-12(9)14(19)17(2)8-13(18)16-11-5-3-10(15)4-6-11/h3-6,9,12H,7-8H2,1-2H3,(H,16,18)/t9-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[2-(4-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 trans-(1R,2R)-N-[2-(4-chloroanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 9417409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).