3-chloro-5-fluoro-N-[4-[(2-phenyl-1H-imidazol-5-yl)methylamino]cyclohexyl]benzamide

C23H24ClFN4O — CID 169215479

IUPAC3-chloro-5-fluoro-N-[4-[(2-phenyl-1H-imidazol-5-yl)methylamino]cyclohexyl]benzamide
SMILESO=C(NC1CCC(NCc2cnc(-c3ccccc3)[nH]2)CC1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C23H24ClFN4O/c24-17-10-16(11-18(25)12-17)23(30)29-20-8-6-19(7-9-20)26-13-21-14-27-22(28-21)15-4-2-1-3-5-15/h1-5,10-12,14,19-20,26H,6-9,13H2,(H,27,28)(H,29,30)
InChIKeyBRTUHCWEAWNFSM-UHFFFAOYSA-N
MW426.92 g/mol
LogP4.70
Rot. Bonds6

About 3-chloro-5-fluoro-N-[4-[(2-phenyl-1H-imidazol-5-yl)methylamino]cyclohexyl]benzamide

3-chloro-5-fluoro-N-[4-[(2-phenyl-1H-imidazol-5-yl)methylamino]cyclohexyl]benzamide (PubChem CID 169215479) has the molecular formula C23H24ClFN4O and a molecular weight of 426.92 g/mol. Its IUPAC name is 3-chloro-5-fluoro-N-[4-[(2-phenyl-1H-imidazol-5-yl)methylamino]cyclohexyl]benzamide.

Molecular Properties

Compound Name3-chloro-5-fluoro-N-[4-[(2-phenyl-1H-imidazol-5-yl)methylamino]cyclohexyl]benzamide
PubChem CID169215479
Molecular FormulaC23H24ClFN4O
Molecular Weight426.92 g/mol
Exact Mass426.16
IUPAC Name3-chloro-5-fluoro-N-[4-[(2-phenyl-1H-imidazol-5-yl)methylamino]cyclohexyl]benzamide
SMILESO=C(NC1CCC(NCc2cnc(-c3ccccc3)[nH]2)CC1)c1cc(F)cc(Cl)c1
InChIInChI=1S/C23H24ClFN4O/c24-17-10-16(11-18(25)12-17)23(30)29-20-8-6-19(7-9-20)26-13-21-14-27-22(28-21)15-4-2-1-3-5-15/h1-5,10-12,14,19-20,26H,6-9,13H2,(H,27,28)(H,29,30)
InChIKeyBRTUHCWEAWNFSM-UHFFFAOYSA-N
XLogP4.70
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.92
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-fluoro-N-[(1R,3S)-3-(1H-indol-2-ylmethylamino)cyclopentyl]benzamide
CID 169215528
N-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]cyclopropanamine
CID 63109033
2-fluoro-N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]benzamide
CID 110711165
3-chloro-N-[(1R,3R)-3-[[3-(difluoromethyl)phenyl]methylamino]cyclopentyl]-5-fluorobenzamide
CID 169215344
N-[(1R,3R)-3-aminocyclopentyl]-3-chloro-5-fluorobenzamide
CID 175943327
N-[2-(2-phenyl-1H-imidazol-5-yl)ethyl]acetamide
CID 110711155
3-chloro-5-fluoro-N-[(1S,3S)-3-[[2-(trifluoromethyl)-1,3-oxazol-4-yl]methylamino]cyclopentyl]benzamide
CID 169215562
3-chloro-5-fluoro-N-[(1R,3R)-3-[[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]cyclopentyl]benzamide
CID 169215317
3-chloro-N-[(1S,3S)-3-[(2-cyclohexyl-2-fluoroethyl)amino]cyclopentyl]-5-fluorobenzamide
CID 169215348
N-[4-(ethylamino)cyclohexyl]-3-fluorobenzamide
CID 43653350
N-cyclopropyl-5-(4-phenylphenyl)pyridine-3-carboxamide
CID 42845850
3-bromo-5-chloro-N-cyclopropylbenzamide
CID 110406468

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-N-[4-[(2-phenyl-1H-imidazol-5-yl)methylamino]cyclohexyl]benzamide?
The IUPAC name of 3-chloro-5-fluoro-N-[4-[(2-phenyl-1H-imidazol-5-yl)methylamino]cyclohexyl]benzamide (CID 169215479) is 3-chloro-5-fluoro-N-[4-[(2-phenyl-1H-imidazol-5-yl)methylamino]cyclohexyl]benzamide.
What is the SMILES notation for 3-chloro-5-fluoro-N-[4-[(2-phenyl-1H-imidazol-5-yl)methylamino]cyclohexyl]benzamide?
The canonical SMILES for 3-chloro-5-fluoro-N-[4-[(2-phenyl-1H-imidazol-5-yl)methylamino]cyclohexyl]benzamide is O=C(NC1CCC(NCc2cnc(-c3ccccc3)[nH]2)CC1)c1cc(F)cc(Cl)c1.
What is the InChIKey of 3-chloro-5-fluoro-N-[4-[(2-phenyl-1H-imidazol-5-yl)methylamino]cyclohexyl]benzamide?
The InChIKey is BRTUHCWEAWNFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O/c24-17-10-16(11-18(25)12-17)23(30)29-20-8-6-19(7-9-20)26-13-21-14-27-22(28-21)15-4-2-1-3-5-15/h1-5,10-12,14,19-20,26H,6-9,13H2,(H,27,28)(H,29,30).
What are the key properties of 3-chloro-5-fluoro-N-[4-[(2-phenyl-1H-imidazol-5-yl)methylamino]cyclohexyl]benzamide?
3-chloro-5-fluoro-N-[4-[(2-phenyl-1H-imidazol-5-yl)methylamino]cyclohexyl]benzamide has a molecular weight of 426.92 g/mol, XLogP of 4.70, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-N-[4-[(2-phenyl-1H-imidazol-5-yl)methylamino]cyclohexyl]benzamide is sourced from PubChem (CID 169215479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).