N-cyclopropyl-3-fluoro-5-[4-[(1-hydroxycyclohexyl)methylcarbamoyl]phenyl]-4-methylbenzamide

C25H29FN2O3 — CID 11384720

IUPACN-cyclopropyl-3-fluoro-5-[4-[(1-hydroxycyclohexyl)methylcarbamoyl]phenyl]-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC2(O)CCCCC2)cc1
InChIInChI=1S/C25H29FN2O3/c1-16-21(13-19(14-22(16)26)24(30)28-20-9-10-20)17-5-7-18(8-6-17)23(29)27-15-25(31)11-3-2-4-12-25/h5-8,13-14,20,31H,2-4,9-12,15H2,1H3,(H,27,29)(H,28,30)
InChIKeyKQCFBOSWVZKYOP-UHFFFAOYSA-N
MW424.52 g/mol
LogP4.12
Rot. Bonds6

About N-cyclopropyl-3-fluoro-5-[4-[(1-hydroxycyclohexyl)methylcarbamoyl]phenyl]-4-methylbenzamide

N-cyclopropyl-3-fluoro-5-[4-[(1-hydroxycyclohexyl)methylcarbamoyl]phenyl]-4-methylbenzamide (PubChem CID 11384720) has the molecular formula C25H29FN2O3 and a molecular weight of 424.52 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-5-[4-[(1-hydroxycyclohexyl)methylcarbamoyl]phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-5-[4-[(1-hydroxycyclohexyl)methylcarbamoyl]phenyl]-4-methylbenzamide
PubChem CID11384720
Molecular FormulaC25H29FN2O3
Molecular Weight424.52 g/mol
Exact Mass424.22
IUPAC NameN-cyclopropyl-3-fluoro-5-[4-[(1-hydroxycyclohexyl)methylcarbamoyl]phenyl]-4-methylbenzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC2(O)CCCCC2)cc1
InChIInChI=1S/C25H29FN2O3/c1-16-21(13-19(14-22(16)26)24(30)28-20-9-10-20)17-5-7-18(8-6-17)23(29)27-15-25(31)11-3-2-4-12-25/h5-8,13-14,20,31H,2-4,9-12,15H2,1H3,(H,27,29)(H,28,30)
InChIKeyKQCFBOSWVZKYOP-UHFFFAOYSA-N
XLogP4.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-cyclopropyl-3-fluoro-5-[4-[(1-hydroxycyclohexyl)methylcarbamoyl]phenyl]-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-5-[4-[(1-hydroxycyclohexyl)methylcarbamoyl]phenyl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-5-[4-[(1-hydroxycyclohexyl)methylcarbamoyl]phenyl]-4-methylbenzamide (CID 11384720) is N-cyclopropyl-3-fluoro-5-[4-[(1-hydroxycyclohexyl)methylcarbamoyl]phenyl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-5-[4-[(1-hydroxycyclohexyl)methylcarbamoyl]phenyl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-5-[4-[(1-hydroxycyclohexyl)methylcarbamoyl]phenyl]-4-methylbenzamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC2(O)CCCCC2)cc1.
What is the InChIKey of N-cyclopropyl-3-fluoro-5-[4-[(1-hydroxycyclohexyl)methylcarbamoyl]phenyl]-4-methylbenzamide?
The InChIKey is KQCFBOSWVZKYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O3/c1-16-21(13-19(14-22(16)26)24(30)28-20-9-10-20)17-5-7-18(8-6-17)23(29)27-15-25(31)11-3-2-4-12-25/h5-8,13-14,20,31H,2-4,9-12,15H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-cyclopropyl-3-fluoro-5-[4-[(1-hydroxycyclohexyl)methylcarbamoyl]phenyl]-4-methylbenzamide?
N-cyclopropyl-3-fluoro-5-[4-[(1-hydroxycyclohexyl)methylcarbamoyl]phenyl]-4-methylbenzamide has a molecular weight of 424.52 g/mol, XLogP of 4.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-5-[4-[(1-hydroxycyclohexyl)methylcarbamoyl]phenyl]-4-methylbenzamide is sourced from PubChem (CID 11384720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).