N-[(1R,2R)-2-aminocyclohexyl]-3-[(4R)-1-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide

C18H22F2N4O3 — CID 124572612

IUPACN-[(1R,2R)-2-aminocyclohexyl]-3-[(4R)-1-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESN[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1NC(=O)N(c2ccc(F)cc2F)C1=O
InChIInChI=1S/C18H22F2N4O3/c19-10-5-7-15(11(20)9-10)24-17(26)14(23-18(24)27)6-8-16(25)22-13-4-2-1-3-12(13)21/h5,7,9,12-14H,1-4,6,8,21H2,(H,22,25)(H,23,27)/t12-,13-,14-/m1/s1
InChIKeyDGWPJTWWRDZZFX-MGPQQGTHSA-N
MW380.40 g/mol
LogP1.56
Rot. Bonds5

About N-[(1R,2R)-2-aminocyclohexyl]-3-[(4R)-1-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide

N-[(1R,2R)-2-aminocyclohexyl]-3-[(4R)-1-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide (PubChem CID 124572612) has the molecular formula C18H22F2N4O3 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[(1R,2R)-2-aminocyclohexyl]-3-[(4R)-1-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-aminocyclohexyl]-3-[(4R)-1-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
PubChem CID124572612
Molecular FormulaC18H22F2N4O3
Molecular Weight380.40 g/mol
Exact Mass380.17
IUPAC NameN-[(1R,2R)-2-aminocyclohexyl]-3-[(4R)-1-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
SMILESN[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1NC(=O)N(c2ccc(F)cc2F)C1=O
InChIInChI=1S/C18H22F2N4O3/c19-10-5-7-15(11(20)9-10)24-17(26)14(23-18(24)27)6-8-16(25)22-13-4-2-1-3-12(13)21/h5,7,9,12-14H,1-4,6,8,21H2,(H,22,25)(H,23,27)/t12-,13-,14-/m1/s1
InChIKeyDGWPJTWWRDZZFX-MGPQQGTHSA-N
XLogP1.56
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-3-[(4R)-1-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide?
The IUPAC name of N-[(1R,2R)-2-aminocyclohexyl]-3-[(4R)-1-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide (CID 124572612) is N-[(1R,2R)-2-aminocyclohexyl]-3-[(4R)-1-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide.
What is the SMILES notation for N-[(1R,2R)-2-aminocyclohexyl]-3-[(4R)-1-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide?
The canonical SMILES for N-[(1R,2R)-2-aminocyclohexyl]-3-[(4R)-1-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide is N[C@@H]1CCCC[C@H]1NC(=O)CC[C@H]1NC(=O)N(c2ccc(F)cc2F)C1=O.
What is the InChIKey of N-[(1R,2R)-2-aminocyclohexyl]-3-[(4R)-1-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide?
The InChIKey is DGWPJTWWRDZZFX-MGPQQGTHSA-N. The full InChI is InChI=1S/C18H22F2N4O3/c19-10-5-7-15(11(20)9-10)24-17(26)14(23-18(24)27)6-8-16(25)22-13-4-2-1-3-12(13)21/h5,7,9,12-14H,1-4,6,8,21H2,(H,22,25)(H,23,27)/t12-,13-,14-/m1/s1.
What are the key properties of N-[(1R,2R)-2-aminocyclohexyl]-3-[(4R)-1-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide?
N-[(1R,2R)-2-aminocyclohexyl]-3-[(4R)-1-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide has a molecular weight of 380.40 g/mol, XLogP of 1.56, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-aminocyclohexyl]-3-[(4R)-1-(2,4-difluorophenyl)-2,5-dioxoimidazolidin-4-yl]propanamide is sourced from PubChem (CID 124572612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).