N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-4-propanoyl-1H-imidazole-5-carboxamide

C20H21ClF2N4O3 — CID 147419778

IUPACN-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-4-propanoyl-1H-imidazole-5-carboxamide
SMILESCCC(=O)c1nc[nH]c1C(=O)NC1CCC(C(=O)Nc2c(F)cc(F)cc2Cl)CC1
InChIInChI=1S/C20H21ClF2N4O3/c1-2-15(28)17-18(25-9-24-17)20(30)26-12-5-3-10(4-6-12)19(29)27-16-13(21)7-11(22)8-14(16)23/h7-10,12H,2-6H2,1H3,(H,24,25)(H,26,30)(H,27,29)
InChIKeyDSFZIHDIHHGFGC-UHFFFAOYSA-N
MW438.86 g/mol
LogP3.86
Rot. Bonds6

About N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-4-propanoyl-1H-imidazole-5-carboxamide

N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-4-propanoyl-1H-imidazole-5-carboxamide (PubChem CID 147419778) has the molecular formula C20H21ClF2N4O3 and a molecular weight of 438.86 g/mol. Its IUPAC name is N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-4-propanoyl-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-4-propanoyl-1H-imidazole-5-carboxamide
PubChem CID147419778
Molecular FormulaC20H21ClF2N4O3
Molecular Weight438.86 g/mol
Exact Mass438.13
IUPAC NameN-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-4-propanoyl-1H-imidazole-5-carboxamide
SMILESCCC(=O)c1nc[nH]c1C(=O)NC1CCC(C(=O)Nc2c(F)cc(F)cc2Cl)CC1
InChIInChI=1S/C20H21ClF2N4O3/c1-2-15(28)17-18(25-9-24-17)20(30)26-12-5-3-10(4-6-12)19(29)27-16-13(21)7-11(22)8-14(16)23/h7-10,12H,2-6H2,1H3,(H,24,25)(H,26,30)(H,27,29)
InChIKeyDSFZIHDIHHGFGC-UHFFFAOYSA-N
XLogP3.86
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.86
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-4-propanoyl-1H-imidazole-5-carboxamide?
The IUPAC name of N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-4-propanoyl-1H-imidazole-5-carboxamide (CID 147419778) is N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-4-propanoyl-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-4-propanoyl-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-4-propanoyl-1H-imidazole-5-carboxamide is CCC(=O)c1nc[nH]c1C(=O)NC1CCC(C(=O)Nc2c(F)cc(F)cc2Cl)CC1.
What is the InChIKey of N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-4-propanoyl-1H-imidazole-5-carboxamide?
The InChIKey is DSFZIHDIHHGFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClF2N4O3/c1-2-15(28)17-18(25-9-24-17)20(30)26-12-5-3-10(4-6-12)19(29)27-16-13(21)7-11(22)8-14(16)23/h7-10,12H,2-6H2,1H3,(H,24,25)(H,26,30)(H,27,29).
What are the key properties of N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-4-propanoyl-1H-imidazole-5-carboxamide?
N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-4-propanoyl-1H-imidazole-5-carboxamide has a molecular weight of 438.86 g/mol, XLogP of 3.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-4-propanoyl-1H-imidazole-5-carboxamide is sourced from PubChem (CID 147419778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).