N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)benzamide

C28H29FN2O4 — CID 44590341

IUPACN-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(N(C(=O)c2ccccc2)C(C(=O)NC2CCCC2)c2ccccc2F)c(OC)c1
InChIInChI=1S/C28H29FN2O4/c1-34-21-16-17-24(25(18-21)35-2)31(28(33)19-10-4-3-5-11-19)26(22-14-8-9-15-23(22)29)27(32)30-20-12-6-7-13-20/h3-5,8-11,14-18,20,26H,6-7,12-13H2,1-2H3,(H,30,32)
InChIKeyKUUCRERQLRLCSS-UHFFFAOYSA-N
MW476.55 g/mol
LogP5.29
Rot. Bonds8

About N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)benzamide

N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)benzamide (PubChem CID 44590341) has the molecular formula C28H29FN2O4 and a molecular weight of 476.55 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)benzamide
PubChem CID44590341
Molecular FormulaC28H29FN2O4
Molecular Weight476.55 g/mol
Exact Mass476.21
IUPAC NameN-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)benzamide
SMILESCOc1ccc(N(C(=O)c2ccccc2)C(C(=O)NC2CCCC2)c2ccccc2F)c(OC)c1
InChIInChI=1S/C28H29FN2O4/c1-34-21-16-17-24(25(18-21)35-2)31(28(33)19-10-4-3-5-11-19)26(22-14-8-9-15-23(22)29)27(32)30-20-12-6-7-13-20/h3-5,8-11,14-18,20,26H,6-7,12-13H2,1-2H3,(H,30,32)
InChIKeyKUUCRERQLRLCSS-UHFFFAOYSA-N
XLogP5.29
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.55
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)benzamide?
The IUPAC name of N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)benzamide (CID 44590341) is N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)benzamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)benzamide?
The canonical SMILES for N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)benzamide is COc1ccc(N(C(=O)c2ccccc2)C(C(=O)NC2CCCC2)c2ccccc2F)c(OC)c1.
What is the InChIKey of N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)benzamide?
The InChIKey is KUUCRERQLRLCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN2O4/c1-34-21-16-17-24(25(18-21)35-2)31(28(33)19-10-4-3-5-11-19)26(22-14-8-9-15-23(22)29)27(32)30-20-12-6-7-13-20/h3-5,8-11,14-18,20,26H,6-7,12-13H2,1-2H3,(H,30,32).
What are the key properties of N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)benzamide?
N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)benzamide has a molecular weight of 476.55 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethoxyphenyl)benzamide is sourced from PubChem (CID 44590341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).