[2-[1-(4-chlorophenyl)cyclobutyl]-2-(3-cyanophenyl)ethyl]carbamic acid

C20H19ClN2O2 — CID 66823329

IUPAC[2-[1-(4-chlorophenyl)cyclobutyl]-2-(3-cyanophenyl)ethyl]carbamic acid
SMILESN#Cc1cccc(C(CNC(=O)O)C2(c3ccc(Cl)cc3)CCC2)c1
InChIInChI=1S/C20H19ClN2O2/c21-17-7-5-16(6-8-17)20(9-2-10-20)18(13-23-19(24)25)15-4-1-3-14(11-15)12-22/h1,3-8,11,18,23H,2,9-10,13H2,(H,24,25)
InChIKeyGQCSCXUJIMEXAA-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.68
Rot. Bonds5

About [2-[1-(4-chlorophenyl)cyclobutyl]-2-(3-cyanophenyl)ethyl]carbamic acid

[2-[1-(4-chlorophenyl)cyclobutyl]-2-(3-cyanophenyl)ethyl]carbamic acid (PubChem CID 66823329) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is [2-[1-(4-chlorophenyl)cyclobutyl]-2-(3-cyanophenyl)ethyl]carbamic acid.

Molecular Properties

Compound Name[2-[1-(4-chlorophenyl)cyclobutyl]-2-(3-cyanophenyl)ethyl]carbamic acid
PubChem CID66823329
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name[2-[1-(4-chlorophenyl)cyclobutyl]-2-(3-cyanophenyl)ethyl]carbamic acid
SMILESN#Cc1cccc(C(CNC(=O)O)C2(c3ccc(Cl)cc3)CCC2)c1
InChIInChI=1S/C20H19ClN2O2/c21-17-7-5-16(6-8-17)20(9-2-10-20)18(13-23-19(24)25)15-4-1-3-14(11-15)12-22/h1,3-8,11,18,23H,2,9-10,13H2,(H,24,25)
InChIKeyGQCSCXUJIMEXAA-UHFFFAOYSA-N
XLogP4.68
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-2-amino-1-(3-cyanophenyl)ethyl]cyclobutane-1-carboxylic acid
CID 125454213
N-[(3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-1-methylcyclobutane-1-carboxamide
CID 69205441
1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-3-(3-cyanophenyl)urea
CID 113214561
3-[(R)-(4-chlorophenyl)-hydroxymethyl]benzonitrile
CID 102158004
3-[(2S)-1-(4-chlorophenyl)-3-oxobutan-2-yl]benzonitrile
CID 93476656
(2S,4R)-N-[(4-chlorophenyl)methyl]-1-[(3-cyanophenyl)-hydroxymethyl]-4-hydroxypyrrolidine-2-carboxamide
CID 146357934
N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-1-(2,4-dichlorophenyl)cyclopentane-1-carboxamide
CID 10239467
N-[(R)-(4-chlorophenyl)-phenylmethyl]-2-(3-cyanophenoxy)acetamide
CID 8852910
3-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]benzamide
CID 105417747
3-cyano-N-(1-methylcyclobutyl)benzamide
CID 115766115
3-[1-(4-chlorophenyl)-3-hydroxybutan-2-yl]benzonitrile
CID 11529339
N-[4-(3-cyanophenyl)-3,4-dihydroxybutyl]acetamide
CID 171882773

Frequently Asked Questions

What is the IUPAC name of [2-[1-(4-chlorophenyl)cyclobutyl]-2-(3-cyanophenyl)ethyl]carbamic acid?
The IUPAC name of [2-[1-(4-chlorophenyl)cyclobutyl]-2-(3-cyanophenyl)ethyl]carbamic acid (CID 66823329) is [2-[1-(4-chlorophenyl)cyclobutyl]-2-(3-cyanophenyl)ethyl]carbamic acid.
What is the SMILES notation for [2-[1-(4-chlorophenyl)cyclobutyl]-2-(3-cyanophenyl)ethyl]carbamic acid?
The canonical SMILES for [2-[1-(4-chlorophenyl)cyclobutyl]-2-(3-cyanophenyl)ethyl]carbamic acid is N#Cc1cccc(C(CNC(=O)O)C2(c3ccc(Cl)cc3)CCC2)c1.
What is the InChIKey of [2-[1-(4-chlorophenyl)cyclobutyl]-2-(3-cyanophenyl)ethyl]carbamic acid?
The InChIKey is GQCSCXUJIMEXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c21-17-7-5-16(6-8-17)20(9-2-10-20)18(13-23-19(24)25)15-4-1-3-14(11-15)12-22/h1,3-8,11,18,23H,2,9-10,13H2,(H,24,25).
What are the key properties of [2-[1-(4-chlorophenyl)cyclobutyl]-2-(3-cyanophenyl)ethyl]carbamic acid?
[2-[1-(4-chlorophenyl)cyclobutyl]-2-(3-cyanophenyl)ethyl]carbamic acid has a molecular weight of 354.84 g/mol, XLogP of 4.68, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4-chlorophenyl)cyclobutyl]-2-(3-cyanophenyl)ethyl]carbamic acid is sourced from PubChem (CID 66823329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).