3-chloro-4-fluoro-N-[4-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]benzamide

C19H21ClFN3O2 — CID 11545328

IUPAC3-chloro-4-fluoro-N-[4-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]benzamide
SMILESCOc1ccnc(NC2CCC(NC(=O)c3ccc(F)c(Cl)c3)CC2)c1
InChIInChI=1S/C19H21ClFN3O2/c1-26-15-8-9-22-18(11-15)23-13-3-5-14(6-4-13)24-19(25)12-2-7-17(21)16(20)10-12/h2,7-11,13-14H,3-6H2,1H3,(H,22,23)(H,24,25)
InChIKeyHQEKKVBOCXPAJS-UHFFFAOYSA-N
MW377.85 g/mol
LogP4.04
Rot. Bonds5

About 3-chloro-4-fluoro-N-[4-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]benzamide

3-chloro-4-fluoro-N-[4-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]benzamide (PubChem CID 11545328) has the molecular formula C19H21ClFN3O2 and a molecular weight of 377.85 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[4-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[4-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]benzamide
PubChem CID11545328
Molecular FormulaC19H21ClFN3O2
Molecular Weight377.85 g/mol
Exact Mass377.13
IUPAC Name3-chloro-4-fluoro-N-[4-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]benzamide
SMILESCOc1ccnc(NC2CCC(NC(=O)c3ccc(F)c(Cl)c3)CC2)c1
InChIInChI=1S/C19H21ClFN3O2/c1-26-15-8-9-22-18(11-15)23-13-3-5-14(6-4-13)24-19(25)12-2-7-17(21)16(20)10-12/h2,7-11,13-14H,3-6H2,1H3,(H,22,23)(H,24,25)
InChIKeyHQEKKVBOCXPAJS-UHFFFAOYSA-N
XLogP4.04
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.85
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[4-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-[4-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]benzamide (CID 11545328) is 3-chloro-4-fluoro-N-[4-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[4-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[4-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]benzamide is COc1ccnc(NC2CCC(NC(=O)c3ccc(F)c(Cl)c3)CC2)c1.
What is the InChIKey of 3-chloro-4-fluoro-N-[4-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]benzamide?
The InChIKey is HQEKKVBOCXPAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN3O2/c1-26-15-8-9-22-18(11-15)23-13-3-5-14(6-4-13)24-19(25)12-2-7-17(21)16(20)10-12/h2,7-11,13-14H,3-6H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 3-chloro-4-fluoro-N-[4-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]benzamide?
3-chloro-4-fluoro-N-[4-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]benzamide has a molecular weight of 377.85 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[4-[(4-methoxy-2-pyridinyl)amino]cyclohexyl]benzamide is sourced from PubChem (CID 11545328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).