4-(5-carbamoyl-3-fluoro-2-methylphenyl)-3-N-cyclopropyl-1-N-(2,2-dimethylpropyl)benzene-1,3-dicarboxamide

C24H28FN3O3 — CID 69229769

IUPAC4-(5-carbamoyl-3-fluoro-2-methylphenyl)-3-N-cyclopropyl-1-N-(2,2-dimethylpropyl)benzene-1,3-dicarboxamide
SMILESCc1c(F)cc(C(N)=O)cc1-c1ccc(C(=O)NCC(C)(C)C)cc1C(=O)NC1CC1
InChIInChI=1S/C24H28FN3O3/c1-13-18(10-15(21(26)29)11-20(13)25)17-8-5-14(22(30)27-12-24(2,3)4)9-19(17)23(31)28-16-6-7-16/h5,8-11,16H,6-7,12H2,1-4H3,(H2,26,29)(H,27,30)(H,28,31)
InChIKeyYEMPPQNJFJYDSK-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.57
Rot. Bonds6

About 4-(5-carbamoyl-3-fluoro-2-methylphenyl)-3-N-cyclopropyl-1-N-(2,2-dimethylpropyl)benzene-1,3-dicarboxamide

4-(5-carbamoyl-3-fluoro-2-methylphenyl)-3-N-cyclopropyl-1-N-(2,2-dimethylpropyl)benzene-1,3-dicarboxamide (PubChem CID 69229769) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 4-(5-carbamoyl-3-fluoro-2-methylphenyl)-3-N-cyclopropyl-1-N-(2,2-dimethylpropyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name4-(5-carbamoyl-3-fluoro-2-methylphenyl)-3-N-cyclopropyl-1-N-(2,2-dimethylpropyl)benzene-1,3-dicarboxamide
PubChem CID69229769
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name4-(5-carbamoyl-3-fluoro-2-methylphenyl)-3-N-cyclopropyl-1-N-(2,2-dimethylpropyl)benzene-1,3-dicarboxamide
SMILESCc1c(F)cc(C(N)=O)cc1-c1ccc(C(=O)NCC(C)(C)C)cc1C(=O)NC1CC1
InChIInChI=1S/C24H28FN3O3/c1-13-18(10-15(21(26)29)11-20(13)25)17-8-5-14(22(30)27-12-24(2,3)4)9-19(17)23(31)28-16-6-7-16/h5,8-11,16H,6-7,12H2,1-4H3,(H2,26,29)(H,27,30)(H,28,31)
InChIKeyYEMPPQNJFJYDSK-UHFFFAOYSA-N
XLogP3.57
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-carbamoyl-3-fluoro-2-methylphenyl)-3-N-cyclopropyl-1-N-(2,2-dimethylpropyl)benzene-1,3-dicarboxamide?
The IUPAC name of 4-(5-carbamoyl-3-fluoro-2-methylphenyl)-3-N-cyclopropyl-1-N-(2,2-dimethylpropyl)benzene-1,3-dicarboxamide (CID 69229769) is 4-(5-carbamoyl-3-fluoro-2-methylphenyl)-3-N-cyclopropyl-1-N-(2,2-dimethylpropyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 4-(5-carbamoyl-3-fluoro-2-methylphenyl)-3-N-cyclopropyl-1-N-(2,2-dimethylpropyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 4-(5-carbamoyl-3-fluoro-2-methylphenyl)-3-N-cyclopropyl-1-N-(2,2-dimethylpropyl)benzene-1,3-dicarboxamide is Cc1c(F)cc(C(N)=O)cc1-c1ccc(C(=O)NCC(C)(C)C)cc1C(=O)NC1CC1.
What is the InChIKey of 4-(5-carbamoyl-3-fluoro-2-methylphenyl)-3-N-cyclopropyl-1-N-(2,2-dimethylpropyl)benzene-1,3-dicarboxamide?
The InChIKey is YEMPPQNJFJYDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-13-18(10-15(21(26)29)11-20(13)25)17-8-5-14(22(30)27-12-24(2,3)4)9-19(17)23(31)28-16-6-7-16/h5,8-11,16H,6-7,12H2,1-4H3,(H2,26,29)(H,27,30)(H,28,31).
What are the key properties of 4-(5-carbamoyl-3-fluoro-2-methylphenyl)-3-N-cyclopropyl-1-N-(2,2-dimethylpropyl)benzene-1,3-dicarboxamide?
4-(5-carbamoyl-3-fluoro-2-methylphenyl)-3-N-cyclopropyl-1-N-(2,2-dimethylpropyl)benzene-1,3-dicarboxamide has a molecular weight of 425.50 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-carbamoyl-3-fluoro-2-methylphenyl)-3-N-cyclopropyl-1-N-(2,2-dimethylpropyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 69229769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).