N-[4-[9-[4-(carbamoylamino)phenyl]fluoren-9-yl]phenyl]acetamide

C28H23N3O2 — CID 123893670

IUPACN-[4-[9-[4-(carbamoylamino)phenyl]fluoren-9-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2(c3ccc(NC(N)=O)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C28H23N3O2/c1-18(32)30-21-14-10-19(11-15-21)28(20-12-16-22(17-13-20)31-27(29)33)25-8-4-2-6-23(25)24-7-3-5-9-26(24)28/h2-17H,1H3,(H,30,32)(H3,29,31,33)
InChIKeyUBMVZAKSCOXWNC-UHFFFAOYSA-N
MW433.51 g/mol
LogP5.50
Rot. Bonds4

About N-[4-[9-[4-(carbamoylamino)phenyl]fluoren-9-yl]phenyl]acetamide

N-[4-[9-[4-(carbamoylamino)phenyl]fluoren-9-yl]phenyl]acetamide (PubChem CID 123893670) has the molecular formula C28H23N3O2 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[4-[9-[4-(carbamoylamino)phenyl]fluoren-9-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[9-[4-(carbamoylamino)phenyl]fluoren-9-yl]phenyl]acetamide
PubChem CID123893670
Molecular FormulaC28H23N3O2
Molecular Weight433.51 g/mol
Exact Mass433.18
IUPAC NameN-[4-[9-[4-(carbamoylamino)phenyl]fluoren-9-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(C2(c3ccc(NC(N)=O)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C28H23N3O2/c1-18(32)30-21-14-10-19(11-15-21)28(20-12-16-22(17-13-20)31-27(29)33)25-8-4-2-6-23(25)24-7-3-5-9-26(24)28/h2-17H,1H3,(H,30,32)(H3,29,31,33)
InChIKeyUBMVZAKSCOXWNC-UHFFFAOYSA-N
XLogP5.50
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[9-[4-(carbamoylamino)phenyl]fluoren-9-yl]phenyl]acetamide?
The IUPAC name of N-[4-[9-[4-(carbamoylamino)phenyl]fluoren-9-yl]phenyl]acetamide (CID 123893670) is N-[4-[9-[4-(carbamoylamino)phenyl]fluoren-9-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[9-[4-(carbamoylamino)phenyl]fluoren-9-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[9-[4-(carbamoylamino)phenyl]fluoren-9-yl]phenyl]acetamide is CC(=O)Nc1ccc(C2(c3ccc(NC(N)=O)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of N-[4-[9-[4-(carbamoylamino)phenyl]fluoren-9-yl]phenyl]acetamide?
The InChIKey is UBMVZAKSCOXWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O2/c1-18(32)30-21-14-10-19(11-15-21)28(20-12-16-22(17-13-20)31-27(29)33)25-8-4-2-6-23(25)24-7-3-5-9-26(24)28/h2-17H,1H3,(H,30,32)(H3,29,31,33).
What are the key properties of N-[4-[9-[4-(carbamoylamino)phenyl]fluoren-9-yl]phenyl]acetamide?
N-[4-[9-[4-(carbamoylamino)phenyl]fluoren-9-yl]phenyl]acetamide has a molecular weight of 433.51 g/mol, XLogP of 5.50, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-[4-(carbamoylamino)phenyl]fluoren-9-yl]phenyl]acetamide is sourced from PubChem (CID 123893670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).