6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(4-chloro-3-fluorophenyl)-6-methylspiro[2.6]nonane-9-carboxamide

C25H26Cl2F2N2O3 — CID 170086636

IUPAC6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(4-chloro-3-fluorophenyl)-6-methylspiro[2.6]nonane-9-carboxamide
SMILESCC1(NC(=O)COc2ccc(Cl)c(F)c2)CCC(C(=O)Nc2ccc(Cl)c(F)c2)C2(CC1)CC2
InChIInChI=1S/C25H26Cl2F2N2O3/c1-24(31-22(32)14-34-16-3-5-19(27)21(29)13-16)7-6-17(25(9-8-24)10-11-25)23(33)30-15-2-4-18(26)20(28)12-15/h2-5,12-13,17H,6-11,14H2,1H3,(H,30,33)(H,31,32)
InChIKeyBNYAWBGBJZOTMT-UHFFFAOYSA-N
MW511.40 g/mol
LogP6.13
Rot. Bonds6

About 6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(4-chloro-3-fluorophenyl)-6-methylspiro[2.6]nonane-9-carboxamide

6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(4-chloro-3-fluorophenyl)-6-methylspiro[2.6]nonane-9-carboxamide (PubChem CID 170086636) has the molecular formula C25H26Cl2F2N2O3 and a molecular weight of 511.40 g/mol. Its IUPAC name is 6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(4-chloro-3-fluorophenyl)-6-methylspiro[2.6]nonane-9-carboxamide.

Molecular Properties

Compound Name6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(4-chloro-3-fluorophenyl)-6-methylspiro[2.6]nonane-9-carboxamide
PubChem CID170086636
Molecular FormulaC25H26Cl2F2N2O3
Molecular Weight511.40 g/mol
Exact Mass510.13
IUPAC Name6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(4-chloro-3-fluorophenyl)-6-methylspiro[2.6]nonane-9-carboxamide
SMILESCC1(NC(=O)COc2ccc(Cl)c(F)c2)CCC(C(=O)Nc2ccc(Cl)c(F)c2)C2(CC1)CC2
InChIInChI=1S/C25H26Cl2F2N2O3/c1-24(31-22(32)14-34-16-3-5-19(27)21(29)13-16)7-6-17(25(9-8-24)10-11-25)23(33)30-15-2-4-18(26)20(28)12-15/h2-5,12-13,17H,6-11,14H2,1H3,(H,30,33)(H,31,32)
InChIKeyBNYAWBGBJZOTMT-UHFFFAOYSA-N
XLogP6.13
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.40
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-[(2S,5R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2,5-dihydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 142585911
2-(4-chloro-3-fluorophenoxy)-N-[(2R,5R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2,5-dihydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 154699055
2-(4-chloro-3-fluorophenoxy)-N-[(1R,2S,4R,5S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2,5-dihydroxy-1-bicyclo[2.2.2]octanyl]acetamide
CID 155285831
[3-[[2-(3,4-difluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]methyl N-(4-chloro-3-fluorophenyl)carbamate
CID 156635677
[(3S)-3-[[2-(3,4-difluorophenoxy)acetyl]amino]-1-bicyclo[2.1.0]pentanyl]methyl N-(4-chloro-3-fluorophenyl)carbamate
CID 146299453
2-(4-chloro-3-fluorophenoxy)-N-[3-(hydroxymethyl)-1-bicyclo[1.1.1]pentanyl]acetamide
CID 137480146
[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]methyl N-(4-bromophenyl)carbamate
CID 150523643
2-(4-chloro-3-fluorophenoxy)-N-[3-hydroxysulfanyloxy-4-(methylamino)-1-bicyclo[2.2.2]octanyl]acetamide
CID 176696305
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-fluoropiperidine-2-carboxamide
CID 138626964
N-[4-[[2-(3-chloro-4-fluorophenoxy)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 134002141
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[2.2.2]octanyl]-5-ethylpiperazine-2-carboxamide
CID 142586222
2-(4-chloro-3-fluorophenoxy)-N-[3-[[2-(3-chlorophenoxy)acetyl]amino]-3-methylcyclobuten-1-yl]acetamide
CID 155302885

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(4-chloro-3-fluorophenyl)-6-methylspiro[2.6]nonane-9-carboxamide?
The IUPAC name of 6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(4-chloro-3-fluorophenyl)-6-methylspiro[2.6]nonane-9-carboxamide (CID 170086636) is 6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(4-chloro-3-fluorophenyl)-6-methylspiro[2.6]nonane-9-carboxamide.
What is the SMILES notation for 6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(4-chloro-3-fluorophenyl)-6-methylspiro[2.6]nonane-9-carboxamide?
The canonical SMILES for 6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(4-chloro-3-fluorophenyl)-6-methylspiro[2.6]nonane-9-carboxamide is CC1(NC(=O)COc2ccc(Cl)c(F)c2)CCC(C(=O)Nc2ccc(Cl)c(F)c2)C2(CC1)CC2.
What is the InChIKey of 6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(4-chloro-3-fluorophenyl)-6-methylspiro[2.6]nonane-9-carboxamide?
The InChIKey is BNYAWBGBJZOTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26Cl2F2N2O3/c1-24(31-22(32)14-34-16-3-5-19(27)21(29)13-16)7-6-17(25(9-8-24)10-11-25)23(33)30-15-2-4-18(26)20(28)12-15/h2-5,12-13,17H,6-11,14H2,1H3,(H,30,33)(H,31,32).
What are the key properties of 6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(4-chloro-3-fluorophenyl)-6-methylspiro[2.6]nonane-9-carboxamide?
6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(4-chloro-3-fluorophenyl)-6-methylspiro[2.6]nonane-9-carboxamide has a molecular weight of 511.40 g/mol, XLogP of 6.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(4-chloro-3-fluorophenyl)-6-methylspiro[2.6]nonane-9-carboxamide is sourced from PubChem (CID 170086636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).