N-[(1S)-1-(4-chlorophenyl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide

C15H18ClNO — CID 81354766

IUPACN-[(1S)-1-(4-chlorophenyl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide
SMILESC[C@H](NC(=O)C1CC2CC2C1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO/c1-9(10-2-4-14(16)5-3-10)17-15(18)13-7-11-6-12(11)8-13/h2-5,9,11-13H,6-8H2,1H3,(H,17,18)/t9-,11?,12?,13?/m0/s1
InChIKeyFFMQLHDKQMAJSS-KODGCSJUSA-N
MW263.77 g/mol
LogP3.56
Rot. Bonds3

About N-[(1S)-1-(4-chlorophenyl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide

N-[(1S)-1-(4-chlorophenyl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 81354766) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID81354766
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC NameN-[(1S)-1-(4-chlorophenyl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide
SMILESC[C@H](NC(=O)C1CC2CC2C1)c1ccc(Cl)cc1
InChIInChI=1S/C15H18ClNO/c1-9(10-2-4-14(16)5-3-10)17-15(18)13-7-11-6-12(11)8-13/h2-5,9,11-13H,6-8H2,1H3,(H,17,18)/t9-,11?,12?,13?/m0/s1
InChIKeyFFMQLHDKQMAJSS-KODGCSJUSA-N
XLogP3.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(1R)-1-(4-chlorophenyl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 81355346
N-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81354643
N-[(1R)-1-(4-chlorophenyl)ethyl]-1-ethylsulfonylpiperidine-4-carboxamide
CID 27782107
(3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139607
(3S)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139439
N-[(1S)-1-pyridin-3-ylethyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 81405077
N-[(1S)-1-(4-chlorophenyl)ethyl]cyclohexanecarboxamide;2,2,2-trifluoroacetic acid
CID 158533764
N-[1-(4-chlorophenyl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 55336180
[(1S)-1-(4-chlorophenyl)ethyl]carbamic acid
CID 155021809
1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 28572355
methyl 3-(3-bicyclo[3.1.0]hexanyl)-2-(4-chlorophenyl)-3-oxopropanoate
CID 68881747
2-amino-N-[(1R)-1-(4-chlorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81355221

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide (CID 81354766) is N-[(1S)-1-(4-chlorophenyl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide is C[C@H](NC(=O)C1CC2CC2C1)c1ccc(Cl)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is FFMQLHDKQMAJSS-KODGCSJUSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-9(10-2-4-14(16)5-3-10)17-15(18)13-7-11-6-12(11)8-13/h2-5,9,11-13H,6-8H2,1H3,(H,17,18)/t9-,11?,12?,13?/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide?
N-[(1S)-1-(4-chlorophenyl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 263.77 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)ethyl]bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 81354766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).