9H-fluoren-9-ylmethyl N-[(1-carbonochloridoylcyclohexyl)methyl]carbamate

C23H24ClNO3 — CID 118380482

IUPAC9H-fluoren-9-ylmethyl N-[(1-carbonochloridoylcyclohexyl)methyl]carbamate
SMILESO=C(NCC1(C(=O)Cl)CCCCC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H24ClNO3/c24-21(26)23(12-6-1-7-13-23)15-25-22(27)28-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,20H,1,6-7,12-15H2,(H,25,27)
InChIKeyZJCDHEBCSYSYII-UHFFFAOYSA-N
MW397.90 g/mol
LogP5.24
Rot. Bonds5

About 9H-fluoren-9-ylmethyl N-[(1-carbonochloridoylcyclohexyl)methyl]carbamate

9H-fluoren-9-ylmethyl N-[(1-carbonochloridoylcyclohexyl)methyl]carbamate (PubChem CID 118380482) has the molecular formula C23H24ClNO3 and a molecular weight of 397.90 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[(1-carbonochloridoylcyclohexyl)methyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[(1-carbonochloridoylcyclohexyl)methyl]carbamate
PubChem CID118380482
Molecular FormulaC23H24ClNO3
Molecular Weight397.90 g/mol
Exact Mass397.14
IUPAC Name9H-fluoren-9-ylmethyl N-[(1-carbonochloridoylcyclohexyl)methyl]carbamate
SMILESO=C(NCC1(C(=O)Cl)CCCCC1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H24ClNO3/c24-21(26)23(12-6-1-7-13-23)15-25-22(27)28-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,20H,1,6-7,12-15H2,(H,25,27)
InChIKeyZJCDHEBCSYSYII-UHFFFAOYSA-N
XLogP5.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.90
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]acetic acid
CID 165481898
9H-fluoren-9-ylmethyl N-(2-chloro-2-oxoethyl)carbamate
CID 11758879
(2R)-2-[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexanecarbonyl]amino]pentanoic acid
CID 165459168
9H-fluoren-9-ylmethyl N-[(1-hydroxy-2-methylcyclopentyl)methyl]carbamate
CID 130649597
[1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclooctyl] formate
CID 135186585
1-[[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methoxypropanoyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 165463816
trans-(1S,2R)-2-[[[1-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 178193712
1-[2-(9H-fluoren-9-ylmethoxy)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 161453586
methyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 21303770
1-[[(1S,2R)-2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclopropanecarbonyl]amino]cyclopropane-1-carboxylic acid
CID 178195666
9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate
CID 71433298
9H-fluoren-9-ylmethyl N-[(4-ethyl-1-hydroxycyclohexyl)methyl]carbamate
CID 65121619

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[(1-carbonochloridoylcyclohexyl)methyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[(1-carbonochloridoylcyclohexyl)methyl]carbamate (CID 118380482) is 9H-fluoren-9-ylmethyl N-[(1-carbonochloridoylcyclohexyl)methyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[(1-carbonochloridoylcyclohexyl)methyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[(1-carbonochloridoylcyclohexyl)methyl]carbamate is O=C(NCC1(C(=O)Cl)CCCCC1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[(1-carbonochloridoylcyclohexyl)methyl]carbamate?
The InChIKey is ZJCDHEBCSYSYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClNO3/c24-21(26)23(12-6-1-7-13-23)15-25-22(27)28-14-20-18-10-4-2-8-16(18)17-9-3-5-11-19(17)20/h2-5,8-11,20H,1,6-7,12-15H2,(H,25,27).
What are the key properties of 9H-fluoren-9-ylmethyl N-[(1-carbonochloridoylcyclohexyl)methyl]carbamate?
9H-fluoren-9-ylmethyl N-[(1-carbonochloridoylcyclohexyl)methyl]carbamate has a molecular weight of 397.90 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[(1-carbonochloridoylcyclohexyl)methyl]carbamate is sourced from PubChem (CID 118380482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).