trans-(1R,2R)-N-[2-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide

C16H21ClN2O2 — CID 124838795

IUPACtrans-(1R,2R)-N-[2-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H](Cc1cccc(Cl)c1)NC(=O)CNC(=O)[C@@H]1C[C@H]1C
InChIInChI=1S/C16H21ClN2O2/c1-10-6-14(10)16(21)18-9-15(20)19-11(2)7-12-4-3-5-13(17)8-12/h3-5,8,10-11,14H,6-7,9H2,1-2H3,(H,18,21)(H,19,20)/t10-,11-,14-/m1/s1
InChIKeyMRHZOCXADOFOKZ-JTNHKYCSSA-N
MW308.81 g/mol
LogP2.16
Rot. Bonds6

About trans-(1R,2R)-N-[2-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[2-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 124838795) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is trans-(1R,2R)-N-[2-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[2-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
PubChem CID124838795
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Nametrans-(1R,2R)-N-[2-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H](Cc1cccc(Cl)c1)NC(=O)CNC(=O)[C@@H]1C[C@H]1C
InChIInChI=1S/C16H21ClN2O2/c1-10-6-14(10)16(21)18-9-15(20)19-11(2)7-12-4-3-5-13(17)8-12/h3-5,8,10-11,14H,6-7,9H2,1-2H3,(H,18,21)(H,19,20)/t10-,11-,14-/m1/s1
InChIKeyMRHZOCXADOFOKZ-JTNHKYCSSA-N
XLogP2.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-[1-(3-chlorophenyl)propan-2-ylcarbamoyl]cyclopropane-1-carboxylic acid
CID 114091892
N-[1-(3-chlorophenyl)propan-2-yl]-2-(propan-2-ylamino)acetamide
CID 60843071
2-(tert-butylamino)-N-[1-(3-chlorophenyl)propan-2-yl]acetamide
CID 78972710
4-amino-N-[1-(3-chlorophenyl)propan-2-yl]-3-methylbutanamide
CID 81075790
cis-(1R,2S)-N-[2-[2-(3-chlorophenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 94182100
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-(methylsulfamoyl)acetamide
CID 96958726
N-[1-(3-chlorophenyl)propan-2-yl]pyrrolidine-3-carboxamide
CID 63006245
N-[1-(3-chlorophenyl)propan-2-yl]-2-(methylamino)propanamide
CID 62637658
2-N-[2-(3-chlorophenyl)ethyl]-1-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109139892
N-[(2S)-1-(3-chlorophenyl)propan-2-yl]-2-thiophen-2-ylacetamide
CID 51947501
trans-(1S,2S)-N-[2-[[2-(benzylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 38639487
N-[2-[[2-(benzylamino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 47030850

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[2-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[2-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide (CID 124838795) is trans-(1R,2R)-N-[2-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[2-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[2-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide is C[C@H](Cc1cccc(Cl)c1)NC(=O)CNC(=O)[C@@H]1C[C@H]1C.
What is the InChIKey of trans-(1R,2R)-N-[2-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is MRHZOCXADOFOKZ-JTNHKYCSSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-10-6-14(10)16(21)18-9-15(20)19-11(2)7-12-4-3-5-13(17)8-12/h3-5,8,10-11,14H,6-7,9H2,1-2H3,(H,18,21)(H,19,20)/t10-,11-,14-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[2-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[2-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 308.81 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[2-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 124838795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).