9-[4-[benzyl(propan-2-yl)amino]butyl]fluorene-9-carbonyl chloride

C28H30ClNO — CID 57004342

IUPAC9-[4-[benzyl(propan-2-yl)amino]butyl]fluorene-9-carbonyl chloride
SMILESCC(C)N(CCCCC1(C(=O)Cl)c2ccccc2-c2ccccc21)Cc1ccccc1
InChIInChI=1S/C28H30ClNO/c1-21(2)30(20-22-12-4-3-5-13-22)19-11-10-18-28(27(29)31)25-16-8-6-14-23(25)24-15-7-9-17-26(24)28/h3-9,12-17,21H,10-11,18-20H2,1-2H3
InChIKeyUWMIVJZXLPSZRW-UHFFFAOYSA-N
MW432.01 g/mol
LogP6.80
Rot. Bonds9

About 9-[4-[benzyl(propan-2-yl)amino]butyl]fluorene-9-carbonyl chloride

9-[4-[benzyl(propan-2-yl)amino]butyl]fluorene-9-carbonyl chloride (PubChem CID 57004342) has the molecular formula C28H30ClNO and a molecular weight of 432.01 g/mol. Its IUPAC name is 9-[4-[benzyl(propan-2-yl)amino]butyl]fluorene-9-carbonyl chloride.

Molecular Properties

Compound Name9-[4-[benzyl(propan-2-yl)amino]butyl]fluorene-9-carbonyl chloride
PubChem CID57004342
Molecular FormulaC28H30ClNO
Molecular Weight432.01 g/mol
Exact Mass431.20
IUPAC Name9-[4-[benzyl(propan-2-yl)amino]butyl]fluorene-9-carbonyl chloride
SMILESCC(C)N(CCCCC1(C(=O)Cl)c2ccccc2-c2ccccc21)Cc1ccccc1
InChIInChI=1S/C28H30ClNO/c1-21(2)30(20-22-12-4-3-5-13-22)19-11-10-18-28(27(29)31)25-16-8-6-14-23(25)24-15-7-9-17-26(24)28/h3-9,12-17,21H,10-11,18-20H2,1-2H3
InChIKeyUWMIVJZXLPSZRW-UHFFFAOYSA-N
XLogP6.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.01
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9-[4-[benzyl(propan-2-yl)amino]butyl]fluorene-9-carbonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-benzyl-N'-propan-2-ylheptane-1,7-diamine
CID 28597865
bis(N-benzyl-N-propan-2-ylhexadecan-1-amine);hydrobromide;hydrochloride
CID 173037592
N-benzyl-N',N'-bis(2-methylpropyl)-N-propan-2-ylpropane-1,3-diamine
CID 59849259
N-benzyl-N-(2-bromoethyl)propan-2-amine
CID 61289329
N'-benzyl-N-(2-methylpropyl)-N'-propan-2-ylpentane-1,5-diamine
CID 62423460
N'-benzyl-N-tert-butyl-N'-propan-2-ylpentane-1,5-diamine
CID 62423459
acetonitrile;N-benzyl-3-[2,6-bis(1-chlorocyclopropyl)phenyl]-N-propan-2-ylpropan-1-amine
CID 70241698
N-benzyl-3-[2,6-bis(1-fluorocyclopentyl)phenyl]-N-propan-2-ylpropan-1-amine
CID 70241867
N-benzyl-3-[3,4-bis(1-chlorocyclopropyl)phenyl]-N-propan-2-ylpropan-1-amine
CID 70243319
4-[benzyl(1-thiophen-2-ylethyl)amino]butanoic acid
CID 119135028
3-[benzyl(propan-2-yl)amino]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 109017239
N-benzyl-9-(3-phenylpropyl)fluorene-9-carboxamide
CID 18409342

Frequently Asked Questions

What is the IUPAC name of 9-[4-[benzyl(propan-2-yl)amino]butyl]fluorene-9-carbonyl chloride?
The IUPAC name of 9-[4-[benzyl(propan-2-yl)amino]butyl]fluorene-9-carbonyl chloride (CID 57004342) is 9-[4-[benzyl(propan-2-yl)amino]butyl]fluorene-9-carbonyl chloride.
What is the SMILES notation for 9-[4-[benzyl(propan-2-yl)amino]butyl]fluorene-9-carbonyl chloride?
The canonical SMILES for 9-[4-[benzyl(propan-2-yl)amino]butyl]fluorene-9-carbonyl chloride is CC(C)N(CCCCC1(C(=O)Cl)c2ccccc2-c2ccccc21)Cc1ccccc1.
What is the InChIKey of 9-[4-[benzyl(propan-2-yl)amino]butyl]fluorene-9-carbonyl chloride?
The InChIKey is UWMIVJZXLPSZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClNO/c1-21(2)30(20-22-12-4-3-5-13-22)19-11-10-18-28(27(29)31)25-16-8-6-14-23(25)24-15-7-9-17-26(24)28/h3-9,12-17,21H,10-11,18-20H2,1-2H3.
What are the key properties of 9-[4-[benzyl(propan-2-yl)amino]butyl]fluorene-9-carbonyl chloride?
9-[4-[benzyl(propan-2-yl)amino]butyl]fluorene-9-carbonyl chloride has a molecular weight of 432.01 g/mol, XLogP of 6.80, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[benzyl(propan-2-yl)amino]butyl]fluorene-9-carbonyl chloride is sourced from PubChem (CID 57004342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).