trans-(1R,2R)-N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-phenylcyclopropane-1-carboxamide

C19H20ClNO2 — CID 172583738

IUPACtrans-(1R,2R)-N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCOC(CNC(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClNO2/c1-23-18(14-8-5-9-15(20)10-14)12-21-19(22)17-11-16(17)13-6-3-2-4-7-13/h2-10,16-18H,11-12H2,1H3,(H,21,22)/t16-,17+,18?/m0/s1
InChIKeyFNODPOTVYMMPDN-MYFVLZFPSA-N
MW329.83 g/mol
LogP3.95
Rot. Bonds6

About trans-(1R,2R)-N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-phenylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-phenylcyclopropane-1-carboxamide (PubChem CID 172583738) has the molecular formula C19H20ClNO2 and a molecular weight of 329.83 g/mol. Its IUPAC name is trans-(1R,2R)-N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-phenylcyclopropane-1-carboxamide
PubChem CID172583738
Molecular FormulaC19H20ClNO2
Molecular Weight329.83 g/mol
Exact Mass329.12
IUPAC Nametrans-(1R,2R)-N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-phenylcyclopropane-1-carboxamide
SMILESCOC(CNC(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccc(Cl)c1
InChIInChI=1S/C19H20ClNO2/c1-23-18(14-8-5-9-15(20)10-14)12-21-19(22)17-11-16(17)13-6-3-2-4-7-13/h2-10,16-18H,11-12H2,1H3,(H,21,22)/t16-,17+,18?/m0/s1
InChIKeyFNODPOTVYMMPDN-MYFVLZFPSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-N-[(2S)-2-(3-chlorophenyl)-2-(cyanomethoxy)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 172583568
3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119807217
N-[2-(3-chlorophenyl)-2-methoxyethyl]triazolidine-4-carboxamide
CID 134068515
3-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119807219
trans-(1S,2S)-2-[[(2S)-2-(4-chlorophenyl)-2-methoxyethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125119144
2-(3-chlorophenyl)-N-[2-(methylamino)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 120829453
3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea
CID 95969088
2-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]acetamide;hydrochloride
CID 119337049
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 110280040
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide
CID 96568600
(2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylpropanamide
CID 96517717
trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 792382

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-phenylcyclopropane-1-carboxamide (CID 172583738) is trans-(1R,2R)-N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-phenylcyclopropane-1-carboxamide is COC(CNC(=O)[C@@H]1C[C@H]1c1ccccc1)c1cccc(Cl)c1.
What is the InChIKey of trans-(1R,2R)-N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-phenylcyclopropane-1-carboxamide?
The InChIKey is FNODPOTVYMMPDN-MYFVLZFPSA-N. The full InChI is InChI=1S/C19H20ClNO2/c1-23-18(14-8-5-9-15(20)10-14)12-21-19(22)17-11-16(17)13-6-3-2-4-7-13/h2-10,16-18H,11-12H2,1H3,(H,21,22)/t16-,17+,18?/m0/s1.
What are the key properties of trans-(1R,2R)-N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-phenylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-phenylcyclopropane-1-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 3.95, 6 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-(3-chlorophenyl)-2-methoxyethyl]-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 172583738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).