N-(3,4-difluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide

C20H23F2N3O3 — CID 55739400

IUPACN-(3,4-difluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H23F2N3O3/c1-11-6-13-16(8-20(2,3)9-17(13)28-11)25-19(27)23-10-18(26)24-12-4-5-14(21)15(22)7-12/h4-7,16H,8-10H2,1-3H3,(H,24,26)(H2,23,25,27)
InChIKeyQMJCEHFSFTXQDU-UHFFFAOYSA-N
MW391.42 g/mol
LogP3.82
Rot. Bonds4

About N-(3,4-difluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide

N-(3,4-difluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide (PubChem CID 55739400) has the molecular formula C20H23F2N3O3 and a molecular weight of 391.42 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide
PubChem CID55739400
Molecular FormulaC20H23F2N3O3
Molecular Weight391.42 g/mol
Exact Mass391.17
IUPAC NameN-(3,4-difluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide
SMILESCc1cc2c(o1)CC(C)(C)CC2NC(=O)NCC(=O)Nc1ccc(F)c(F)c1
InChIInChI=1S/C20H23F2N3O3/c1-11-6-13-16(8-20(2,3)9-17(13)28-11)25-19(27)23-10-18(26)24-12-4-5-14(21)15(22)7-12/h4-7,16H,8-10H2,1-3H3,(H,24,26)(H2,23,25,27)
InChIKeyQMJCEHFSFTXQDU-UHFFFAOYSA-N
XLogP3.82
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide (CID 55739400) is N-(3,4-difluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide is Cc1cc2c(o1)CC(C)(C)CC2NC(=O)NCC(=O)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide?
The InChIKey is QMJCEHFSFTXQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O3/c1-11-6-13-16(8-20(2,3)9-17(13)28-11)25-19(27)23-10-18(26)24-12-4-5-14(21)15(22)7-12/h4-7,16H,8-10H2,1-3H3,(H,24,26)(H2,23,25,27).
What are the key properties of N-(3,4-difluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide?
N-(3,4-difluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide has a molecular weight of 391.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[(2,6,6-trimethyl-5,7-dihydro-4H-1-benzofuran-4-yl)carbamoylamino]acetamide is sourced from PubChem (CID 55739400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).