N-benzyl-9-(3-phenylpropyl)fluorene-9-carboxamide

C30H27NO — CID 18409342

IUPACN-benzyl-9-(3-phenylpropyl)fluorene-9-carboxamide
SMILESO=C(NCc1ccccc1)C1(CCCc2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C30H27NO/c32-29(31-22-24-14-5-2-6-15-24)30(21-11-16-23-12-3-1-4-13-23)27-19-9-7-17-25(27)26-18-8-10-20-28(26)30/h1-10,12-15,17-20H,11,16,21-22H2,(H,31,32)
InChIKeyJALQGRQOPOSSHE-UHFFFAOYSA-N
MW417.55 g/mol
LogP6.29
Rot. Bonds7

About N-benzyl-9-(3-phenylpropyl)fluorene-9-carboxamide

N-benzyl-9-(3-phenylpropyl)fluorene-9-carboxamide (PubChem CID 18409342) has the molecular formula C30H27NO and a molecular weight of 417.55 g/mol. Its IUPAC name is N-benzyl-9-(3-phenylpropyl)fluorene-9-carboxamide.

Molecular Properties

Compound NameN-benzyl-9-(3-phenylpropyl)fluorene-9-carboxamide
PubChem CID18409342
Molecular FormulaC30H27NO
Molecular Weight417.55 g/mol
Exact Mass417.21
IUPAC NameN-benzyl-9-(3-phenylpropyl)fluorene-9-carboxamide
SMILESO=C(NCc1ccccc1)C1(CCCc2ccccc2)c2ccccc2-c2ccccc21
InChIInChI=1S/C30H27NO/c32-29(31-22-24-14-5-2-6-15-24)30(21-11-16-23-12-3-1-4-13-23)27-19-9-7-17-25(27)26-18-8-10-20-28(26)30/h1-10,12-15,17-20H,11,16,21-22H2,(H,31,32)
InChIKeyJALQGRQOPOSSHE-UHFFFAOYSA-N
XLogP6.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-9-hydroxyfluorene-9-carboxamide
CID 21240344
9-(3-phenylpropyl)-N-prop-2-ynylxanthene-9-carboxamide
CID 22891201
N-[2-(2-hydroxyethoxy)ethyl]-9-(3-phenylpropyl)xanthene-9-carboxamide
CID 22891489
N-benzyl-2-[5-[9-(2,2,2-trifluoroethylcarbamoyl)fluoren-9-yl]pentylsulfanyl]-1H-imidazole-5-carboxamide
CID 22891577
9-(4-bromobutyl)-N-(2,2,3,3,3-pentafluoropropyl)fluorene-9-carboxamide
CID 22636275
N-[(4-fluorophenyl)methyl]-9-[4-(4-quinoxalin-2-ylpiperazin-1-yl)butyl]fluorene-9-carboxamide
CID 22636310
1-benzyl-3-[4-(4-hydroxyphenyl)butanoylamino]urea
CID 59015915
1-N-(3-phenylpropyl)-1-N'-(pyridin-4-ylmethyl)cyclopropane-1,1-dicarboxamide
CID 108976958
4-[(benzylcarbamoylamino)methyl]benzoic acid
CID 61180965
9-[4-(3-benzamidopropanoylamino)butyl]-N-(2,2,2-trifluoroethyl)fluorene-9-carboxamide
CID 22891220
[9-(4-bromobutyl)fluoren-9-yl] N-(2-phenylethyl)carbamate
CID 70139852
9-[4-[benzyl(propan-2-yl)amino]butyl]fluorene-9-carbonyl chloride
CID 57004342

Frequently Asked Questions

What is the IUPAC name of N-benzyl-9-(3-phenylpropyl)fluorene-9-carboxamide?
The IUPAC name of N-benzyl-9-(3-phenylpropyl)fluorene-9-carboxamide (CID 18409342) is N-benzyl-9-(3-phenylpropyl)fluorene-9-carboxamide.
What is the SMILES notation for N-benzyl-9-(3-phenylpropyl)fluorene-9-carboxamide?
The canonical SMILES for N-benzyl-9-(3-phenylpropyl)fluorene-9-carboxamide is O=C(NCc1ccccc1)C1(CCCc2ccccc2)c2ccccc2-c2ccccc21.
What is the InChIKey of N-benzyl-9-(3-phenylpropyl)fluorene-9-carboxamide?
The InChIKey is JALQGRQOPOSSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO/c32-29(31-22-24-14-5-2-6-15-24)30(21-11-16-23-12-3-1-4-13-23)27-19-9-7-17-25(27)26-18-8-10-20-28(26)30/h1-10,12-15,17-20H,11,16,21-22H2,(H,31,32).
What are the key properties of N-benzyl-9-(3-phenylpropyl)fluorene-9-carboxamide?
N-benzyl-9-(3-phenylpropyl)fluorene-9-carboxamide has a molecular weight of 417.55 g/mol, XLogP of 6.29, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-9-(3-phenylpropyl)fluorene-9-carboxamide is sourced from PubChem (CID 18409342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).