(4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxoimidazolidine-4-carboxamide

C18H22ClF2N3O2 — CID 167527852

IUPAC(4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@@H](CC2CCCCC2)c2ccc(F)c(Cl)c2F)N1
InChIInChI=1S/C18H22ClF2N3O2/c19-15-12(20)7-6-11(16(15)21)13(8-10-4-2-1-3-5-10)23-17(25)14-9-22-18(26)24-14/h6-7,10,13-14H,1-5,8-9H2,(H,23,25)(H2,22,24,26)/t13-,14-/m0/s1
InChIKeyKELXLBAQFIYSIK-KBPBESRZSA-N
MW385.84 g/mol
LogP3.43
Rot. Bonds5

About (4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 167527852) has the molecular formula C18H22ClF2N3O2 and a molecular weight of 385.84 g/mol. Its IUPAC name is (4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID167527852
Molecular FormulaC18H22ClF2N3O2
Molecular Weight385.84 g/mol
Exact Mass385.14
IUPAC Name(4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@@H](CC2CCCCC2)c2ccc(F)c(Cl)c2F)N1
InChIInChI=1S/C18H22ClF2N3O2/c19-15-12(20)7-6-11(16(15)21)13(8-10-4-2-1-3-5-10)23-17(25)14-9-22-18(26)24-14/h6-7,10,13-14H,1-5,8-9H2,(H,23,25)(H2,22,24,26)/t13-,14-/m0/s1
InChIKeyKELXLBAQFIYSIK-KBPBESRZSA-N
XLogP3.43
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.84
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(4S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-[(3R)-oxan-3-yl]ethyl]-2-oxoimidazolidine-4-carboxamide
CID 175417199
(4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-2-[(3S)-oxan-3-yl]ethyl]-2-oxoimidazolidine-4-carboxamide
CID 167527843
N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-2-(4,4-difluorocyclohexyl)ethyl]-2-oxoimidazolidine-4-carboxamide
CID 175417237
(4S)-N-[(R)-(3-chloro-2,4-difluorophenyl)-[(2S)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 167527916
(4S)-N-[(3-chloro-2,4-difluorophenyl)-(2,2-difluorospiro[3.3]heptan-6-yl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 166908040
N-[(R)-(3-chloro-2,4-difluorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417229
(4S)-N-[(3-chloro-2,4-difluorophenyl)-(2-oxo-3H-1,3-thiazol-5-yl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 166905152
N-[(R)-(3-chloro-2,4-difluorophenyl)-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417227
(4S)-N-[(S)-(3-chloro-2,4-difluorophenyl)-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520883
N-[(S)-(3-chloro-2,4-difluorophenyl)-[2-(trifluoromethyl)pyrimidin-5-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417223
(4S)-N-[(3-chloro-2,4-difluorophenyl)-[(2R,4R)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 175417185
(4S)-N-[(S)-(3-chloro-2,4-difluorophenyl)-[(4S)-1-methyl-2-(trifluoromethyl)piperidin-4-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 169429124

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxoimidazolidine-4-carboxamide (CID 167527852) is (4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)N[C@@H](CC2CCCCC2)c2ccc(F)c(Cl)c2F)N1.
What is the InChIKey of (4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is KELXLBAQFIYSIK-KBPBESRZSA-N. The full InChI is InChI=1S/C18H22ClF2N3O2/c19-15-12(20)7-6-11(16(15)21)13(8-10-4-2-1-3-5-10)23-17(25)14-9-22-18(26)24-14/h6-7,10,13-14H,1-5,8-9H2,(H,23,25)(H2,22,24,26)/t13-,14-/m0/s1.
What are the key properties of (4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 385.84 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(1S)-1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 167527852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).