N-(4-aminocyclohexyl)-1-benzoyl-3-(3-fluorobenzoyl)imidazolidine-2-carboxamide

C24H27FN4O3 — CID 23937280

IUPACN-(4-aminocyclohexyl)-1-benzoyl-3-(3-fluorobenzoyl)imidazolidine-2-carboxamide
SMILESNC1CCC(NC(=O)C2N(C(=O)c3ccccc3)CCN2C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C24H27FN4O3/c25-18-8-4-7-17(15-18)24(32)29-14-13-28(23(31)16-5-2-1-3-6-16)22(29)21(30)27-20-11-9-19(26)10-12-20/h1-8,15,19-20,22H,9-14,26H2,(H,27,30)
InChIKeyAFTXJTOEAIUYCY-UHFFFAOYSA-N
MW438.50 g/mol
LogP2.14
Rot. Bonds4

About N-(4-aminocyclohexyl)-1-benzoyl-3-(3-fluorobenzoyl)imidazolidine-2-carboxamide

N-(4-aminocyclohexyl)-1-benzoyl-3-(3-fluorobenzoyl)imidazolidine-2-carboxamide (PubChem CID 23937280) has the molecular formula C24H27FN4O3 and a molecular weight of 438.50 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-1-benzoyl-3-(3-fluorobenzoyl)imidazolidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-1-benzoyl-3-(3-fluorobenzoyl)imidazolidine-2-carboxamide
PubChem CID23937280
Molecular FormulaC24H27FN4O3
Molecular Weight438.50 g/mol
Exact Mass438.21
IUPAC NameN-(4-aminocyclohexyl)-1-benzoyl-3-(3-fluorobenzoyl)imidazolidine-2-carboxamide
SMILESNC1CCC(NC(=O)C2N(C(=O)c3ccccc3)CCN2C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C24H27FN4O3/c25-18-8-4-7-17(15-18)24(32)29-14-13-28(23(31)16-5-2-1-3-6-16)22(29)21(30)27-20-11-9-19(26)10-12-20/h1-8,15,19-20,22H,9-14,26H2,(H,27,30)
InChIKeyAFTXJTOEAIUYCY-UHFFFAOYSA-N
XLogP2.14
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(4-aminocyclohexyl)-3-(3,5-difluorobenzoyl)-1-N-(3-fluorophenyl)imidazolidine-1,2-dicarboxamide
CID 23821876
N-(4-aminocyclohexyl)-1-(3,5-difluorobenzoyl)-3-(4-fluorobenzoyl)-1,3-diazinane-2-carboxamide
CID 23934588
N-(4-aminocyclohexyl)-1-(cyclopropanecarbonyl)-3-(3,5-difluorobenzoyl)imidazolidine-2-carboxamide
CID 23912600
phenyl 2-[(4-aminocyclohexyl)carbamoyl]-3-(3-methylbenzoyl)imidazolidine-1-carboxylate
CID 23884026
N-(4-aminocyclohexyl)-1-(3-bromobenzoyl)-3-(3,4-dichlorobenzoyl)imidazolidine-2-carboxamide
CID 23903155
N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
2-N-(4-aminocyclohexyl)-3-(3,5-difluorobenzoyl)-1-N-ethylimidazolidine-1,2-dicarboxamide
CID 23791308
N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(pyridine-3-carbonyl)imidazolidine-2-carboxamide
CID 23740092
2-N-(4-aminocyclohexyl)-3-N-(3-chlorophenyl)-1-N-(3-fluorophenyl)imidazolidine-1,2,3-tricarboxamide
CID 23994221
2-N-(4-aminocyclohexyl)-3-N-(3-fluorophenyl)-1-N-(4-methylphenyl)imidazolidine-1,2,3-tricarboxamide
CID 23764104
N-(4-aminocyclohexyl)-1-(3-methylbenzoyl)-3-(3-phenylpropanoyl)-1,3-diazinane-2-carboxamide
CID 23883208
N-(4-aminocyclohexyl)-1-benzylsulfonyl-3-(3-bromobenzoyl)-1,3-diazinane-2-carboxamide
CID 23879217

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-1-benzoyl-3-(3-fluorobenzoyl)imidazolidine-2-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-1-benzoyl-3-(3-fluorobenzoyl)imidazolidine-2-carboxamide (CID 23937280) is N-(4-aminocyclohexyl)-1-benzoyl-3-(3-fluorobenzoyl)imidazolidine-2-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-1-benzoyl-3-(3-fluorobenzoyl)imidazolidine-2-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-1-benzoyl-3-(3-fluorobenzoyl)imidazolidine-2-carboxamide is NC1CCC(NC(=O)C2N(C(=O)c3ccccc3)CCN2C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-1-benzoyl-3-(3-fluorobenzoyl)imidazolidine-2-carboxamide?
The InChIKey is AFTXJTOEAIUYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O3/c25-18-8-4-7-17(15-18)24(32)29-14-13-28(23(31)16-5-2-1-3-6-16)22(29)21(30)27-20-11-9-19(26)10-12-20/h1-8,15,19-20,22H,9-14,26H2,(H,27,30).
What are the key properties of N-(4-aminocyclohexyl)-1-benzoyl-3-(3-fluorobenzoyl)imidazolidine-2-carboxamide?
N-(4-aminocyclohexyl)-1-benzoyl-3-(3-fluorobenzoyl)imidazolidine-2-carboxamide has a molecular weight of 438.50 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-1-benzoyl-3-(3-fluorobenzoyl)imidazolidine-2-carboxamide is sourced from PubChem (CID 23937280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).