N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylfuran-2-carboxamide

C18H18ClNO3 — CID 2998461

IUPACN-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccco1)C1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C18H18ClNO3/c1-20(17(22)15-9-6-12-23-15)18(11-5-4-10-16(18)21)13-7-2-3-8-14(13)19/h2-3,6-9,12H,4-5,10-11H2,1H3
InChIKeyWEOOMIYJBKQQHM-UHFFFAOYSA-N
MW331.80 g/mol
LogP4.04
Rot. Bonds3

About N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylfuran-2-carboxamide

N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylfuran-2-carboxamide (PubChem CID 2998461) has the molecular formula C18H18ClNO3 and a molecular weight of 331.80 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylfuran-2-carboxamide
PubChem CID2998461
Molecular FormulaC18H18ClNO3
Molecular Weight331.80 g/mol
Exact Mass331.10
IUPAC NameN-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylfuran-2-carboxamide
SMILESCN(C(=O)c1ccco1)C1(c2ccccc2Cl)CCCCC1=O
InChIInChI=1S/C18H18ClNO3/c1-20(17(22)15-9-6-12-23-15)18(11-5-4-10-16(18)21)13-7-2-3-8-14(13)19/h2-3,6-9,12H,4-5,10-11H2,1H3
InChIKeyWEOOMIYJBKQQHM-UHFFFAOYSA-N
XLogP4.04
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylbenzamide
CID 2354551
1-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-3-(furan-2-ylmethyl)-1-methylthiourea
CID 7941128
2-(2-chlorophenyl)-2-[hydroxy(methyl)amino]cyclohexan-1-one
CID 135034218
propan-2-yl N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate
CID 170263505
methyl 3-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylcarbamoyl]benzoate
CID 55761597
1-chloroethyl N-[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylcarbamate
CID 139320477
(2S)-N-[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylpyrrolidine-2-carboxamide
CID 139320616
[2-[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-2-oxoethyl] propanoate
CID 55443861
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-4-(dimethylamino)-N-methylbutanamide
CID 175063270
[[1-(2-chlorophenyl)-2-oxocyclohexyl]-methylcarbamoyl]oxymethyl 2-acetamidoacetate
CID 146192254
ethyl 2-[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]acetate
CID 163956305
[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-methylcarbamoyl]oxymethyl 4-oxopentanoate
CID 158267948

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylfuran-2-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylfuran-2-carboxamide (CID 2998461) is N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylfuran-2-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylfuran-2-carboxamide is CN(C(=O)c1ccco1)C1(c2ccccc2Cl)CCCCC1=O.
What is the InChIKey of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylfuran-2-carboxamide?
The InChIKey is WEOOMIYJBKQQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClNO3/c1-20(17(22)15-9-6-12-23-15)18(11-5-4-10-16(18)21)13-7-2-3-8-14(13)19/h2-3,6-9,12H,4-5,10-11H2,1H3.
What are the key properties of N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylfuran-2-carboxamide?
N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylfuran-2-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-2-oxocyclohexyl]-N-methylfuran-2-carboxamide is sourced from PubChem (CID 2998461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).