3-chloropropyl N-(3-fluorophenyl)carbamate

C10H11ClFNO2 — CID 103970573

IUPAC3-chloropropyl N-(3-fluorophenyl)carbamate
SMILESO=C(Nc1cccc(F)c1)OCCCCl
InChIInChI=1S/C10H11ClFNO2/c11-5-2-6-15-10(14)13-9-4-1-3-8(12)7-9/h1,3-4,7H,2,5-6H2,(H,13,14)
InChIKeyPFCBDKBKCABCCI-UHFFFAOYSA-N
MW231.65 g/mol
LogP3.00
Rot. Bonds4

About 3-chloropropyl N-(3-fluorophenyl)carbamate

3-chloropropyl N-(3-fluorophenyl)carbamate (PubChem CID 103970573) has the molecular formula C10H11ClFNO2 and a molecular weight of 231.65 g/mol. Its IUPAC name is 3-chloropropyl N-(3-fluorophenyl)carbamate.

Molecular Properties

Compound Name3-chloropropyl N-(3-fluorophenyl)carbamate
PubChem CID103970573
Molecular FormulaC10H11ClFNO2
Molecular Weight231.65 g/mol
Exact Mass231.05
IUPAC Name3-chloropropyl N-(3-fluorophenyl)carbamate
SMILESO=C(Nc1cccc(F)c1)OCCCCl
InChIInChI=1S/C10H11ClFNO2/c11-5-2-6-15-10(14)13-9-4-1-3-8(12)7-9/h1,3-4,7H,2,5-6H2,(H,13,14)
InChIKeyPFCBDKBKCABCCI-UHFFFAOYSA-N
XLogP3.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.65
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(methylamino)ethyl N-(3-fluorophenyl)carbamate
CID 79338015
4-chlorobutyl N-(3-chlorophenyl)carbamate
CID 112683015
2-trimethylsilylethyl N-(3-fluorophenyl)carbamate
CID 68758194
2-azidoethyl N-(3-fluorophenyl)carbamate
CID 59667440
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
2-methylpropyl N-(3-fluorophenyl)carbamate
CID 15908281
3-chloro-N-(3-fluorophenyl)propanamide
CID 3555695
2-methoxyethyl N-[3-[[2-(3-fluoroanilino)-2-oxoethyl]amino]phenyl]carbamate
CID 47077792
6-chlorohexyl 3-fluorobenzoate
CID 91711869
2-(2-chloroethoxy)ethyl N-(3-cyanophenyl)carbamate
CID 103970635
pyridin-3-ylmethyl N-(3-fluorophenyl)carbamate
CID 4524913
2-[(3-methylphenyl)carbamoyloxy]ethyl N-(3-methylphenyl)carbamate
CID 176596945

Frequently Asked Questions

What is the IUPAC name of 3-chloropropyl N-(3-fluorophenyl)carbamate?
The IUPAC name of 3-chloropropyl N-(3-fluorophenyl)carbamate (CID 103970573) is 3-chloropropyl N-(3-fluorophenyl)carbamate.
What is the SMILES notation for 3-chloropropyl N-(3-fluorophenyl)carbamate?
The canonical SMILES for 3-chloropropyl N-(3-fluorophenyl)carbamate is O=C(Nc1cccc(F)c1)OCCCCl.
What is the InChIKey of 3-chloropropyl N-(3-fluorophenyl)carbamate?
The InChIKey is PFCBDKBKCABCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO2/c11-5-2-6-15-10(14)13-9-4-1-3-8(12)7-9/h1,3-4,7H,2,5-6H2,(H,13,14).
What are the key properties of 3-chloropropyl N-(3-fluorophenyl)carbamate?
3-chloropropyl N-(3-fluorophenyl)carbamate has a molecular weight of 231.65 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloropropyl N-(3-fluorophenyl)carbamate is sourced from PubChem (CID 103970573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).