2,6-dichloro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-4-(3-methylbutyl)benzamide

C21H22Cl2FN3O2 — CID 59618312

IUPAC2,6-dichloro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-4-(3-methylbutyl)benzamide
SMILESCC(C)CCc1cc(Cl)c(C(=O)Nc2ccnc(NC(=O)[C@H]3C[C@H]3F)c2)c(Cl)c1
InChIInChI=1S/C21H22Cl2FN3O2/c1-11(2)3-4-12-7-15(22)19(16(23)8-12)21(29)26-13-5-6-25-18(9-13)27-20(28)14-10-17(14)24/h5-9,11,14,17H,3-4,10H2,1-2H3,(H2,25,26,27,28,29)/t14-,17+/m0/s1
InChIKeyDXCIEHQLNIBWBG-WMLDXEAASA-N
MW438.33 g/mol
LogP5.53
Rot. Bonds7

About 2,6-dichloro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-4-(3-methylbutyl)benzamide

2,6-dichloro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-4-(3-methylbutyl)benzamide (PubChem CID 59618312) has the molecular formula C21H22Cl2FN3O2 and a molecular weight of 438.33 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-4-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-4-(3-methylbutyl)benzamide
PubChem CID59618312
Molecular FormulaC21H22Cl2FN3O2
Molecular Weight438.33 g/mol
Exact Mass437.11
IUPAC Name2,6-dichloro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-4-(3-methylbutyl)benzamide
SMILESCC(C)CCc1cc(Cl)c(C(=O)Nc2ccnc(NC(=O)[C@H]3C[C@H]3F)c2)c(Cl)c1
InChIInChI=1S/C21H22Cl2FN3O2/c1-11(2)3-4-12-7-15(22)19(16(23)8-12)21(29)26-13-5-6-25-18(9-13)27-20(28)14-10-17(14)24/h5-9,11,14,17H,3-4,10H2,1-2H3,(H2,25,26,27,28,29)/t14-,17+/m0/s1
InChIKeyDXCIEHQLNIBWBG-WMLDXEAASA-N
XLogP5.53
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.33
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2,6-dichloro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-4-(3-methylbutyl)benzamide with MolForge

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Related Compounds

2,6-dichloro-N-[2-[[(1R,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
CID 59618118
2-chloro-4-cyano-6-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
CID 59618232
2,6-dichloro-N-[2-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
CID 59618440
4-amino-2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]benzamide
CID 59618347
2,6-dichloro-N-[2-[(2-cyanocyclopropanecarbonyl)amino]-4-pyridinyl]benzamide
CID 68677654
2,6-dichloro-N-[2-(cyclobutanecarbonylamino)-4-pyridinyl]benzamide
CID 59618171
4-cyano-2-fluoro-N-[2-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-6-iodobenzamide
CID 70823746
4-cyano-2-fluoro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]benzamide
CID 59618545
2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-(2-hydroxy-1,3-oxazolidin-3-yl)benzamide
CID 91321825
2,4-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-6-methoxybenzamide
CID 59618243
2-chloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3,6-difluorobenzamide
CID 59617959
2,6-dichloro-N-[2-[[ethyl-(3-hydroxycyclobutyl)carbamoyl]amino]-4-pyridinyl]benzamide
CID 90957574

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-4-(3-methylbutyl)benzamide?
The IUPAC name of 2,6-dichloro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-4-(3-methylbutyl)benzamide (CID 59618312) is 2,6-dichloro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-4-(3-methylbutyl)benzamide.
What is the SMILES notation for 2,6-dichloro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-4-(3-methylbutyl)benzamide?
The canonical SMILES for 2,6-dichloro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-4-(3-methylbutyl)benzamide is CC(C)CCc1cc(Cl)c(C(=O)Nc2ccnc(NC(=O)[C@H]3C[C@H]3F)c2)c(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-4-(3-methylbutyl)benzamide?
The InChIKey is DXCIEHQLNIBWBG-WMLDXEAASA-N. The full InChI is InChI=1S/C21H22Cl2FN3O2/c1-11(2)3-4-12-7-15(22)19(16(23)8-12)21(29)26-13-5-6-25-18(9-13)27-20(28)14-10-17(14)24/h5-9,11,14,17H,3-4,10H2,1-2H3,(H2,25,26,27,28,29)/t14-,17+/m0/s1.
What are the key properties of 2,6-dichloro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-4-(3-methylbutyl)benzamide?
2,6-dichloro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-4-(3-methylbutyl)benzamide has a molecular weight of 438.33 g/mol, XLogP of 5.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-[[(1R,2R)-2-fluorocyclopropanecarbonyl]amino]-4-pyridinyl]-4-(3-methylbutyl)benzamide is sourced from PubChem (CID 59618312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).