(1-chloropropylideneamino) N-(3-fluorophenyl)carbamate

C10H10ClFN2O2 — CID 3826549

IUPAC(1-chloropropylideneamino) N-(3-fluorophenyl)carbamate
SMILESCCC(Cl)=NOC(=O)Nc1cccc(F)c1
InChIInChI=1S/C10H10ClFN2O2/c1-2-9(11)14-16-10(15)13-8-5-3-4-7(12)6-8/h3-6H,2H2,1H3,(H,13,15)
InChIKeyJDUVONAZCOVDSU-UHFFFAOYSA-N
MW244.65 g/mol
LogP3.34
Rot. Bonds3

About (1-chloropropylideneamino) N-(3-fluorophenyl)carbamate

(1-chloropropylideneamino) N-(3-fluorophenyl)carbamate (PubChem CID 3826549) has the molecular formula C10H10ClFN2O2 and a molecular weight of 244.65 g/mol. Its IUPAC name is (1-chloropropylideneamino) N-(3-fluorophenyl)carbamate.

Molecular Properties

Compound Name(1-chloropropylideneamino) N-(3-fluorophenyl)carbamate
PubChem CID3826549
Molecular FormulaC10H10ClFN2O2
Molecular Weight244.65 g/mol
Exact Mass244.04
IUPAC Name(1-chloropropylideneamino) N-(3-fluorophenyl)carbamate
SMILESCCC(Cl)=NOC(=O)Nc1cccc(F)c1
InChIInChI=1S/C10H10ClFN2O2/c1-2-9(11)14-16-10(15)13-8-5-3-4-7(12)6-8/h3-6H,2H2,1H3,(H,13,15)
InChIKeyJDUVONAZCOVDSU-UHFFFAOYSA-N
XLogP3.34
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.65
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methylpropyl N-(3-fluorophenyl)carbamate
CID 15908281
2-(methylamino)ethyl N-(3-fluorophenyl)carbamate
CID 79338015
3-chloropropyl N-(3-fluorophenyl)carbamate
CID 103970573
2-trimethylsilylethyl N-(3-fluorophenyl)carbamate
CID 68758194
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
2-azidoethyl N-(3-fluorophenyl)carbamate
CID 59667440
N-ethyl-N'-(3-fluorophenyl)propanediamide
CID 67472700
1-ethyl-3-(3-fluorophenyl)-1-methylurea
CID 115603508
octan-3-yl N-(3-fluorophenyl)carbamate
CID 174482782
(2-chloro-4-fluorophenyl) N-(3-fluorophenyl)carbamate
CID 4287006
3-chloro-N-(3-fluorophenyl)propanamide
CID 3555695
1-(3-ethoxythiophen-2-yl)-3-(3-fluorophenyl)urea
CID 2808433

Frequently Asked Questions

What is the IUPAC name of (1-chloropropylideneamino) N-(3-fluorophenyl)carbamate?
The IUPAC name of (1-chloropropylideneamino) N-(3-fluorophenyl)carbamate (CID 3826549) is (1-chloropropylideneamino) N-(3-fluorophenyl)carbamate.
What is the SMILES notation for (1-chloropropylideneamino) N-(3-fluorophenyl)carbamate?
The canonical SMILES for (1-chloropropylideneamino) N-(3-fluorophenyl)carbamate is CCC(Cl)=NOC(=O)Nc1cccc(F)c1.
What is the InChIKey of (1-chloropropylideneamino) N-(3-fluorophenyl)carbamate?
The InChIKey is JDUVONAZCOVDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O2/c1-2-9(11)14-16-10(15)13-8-5-3-4-7(12)6-8/h3-6H,2H2,1H3,(H,13,15).
What are the key properties of (1-chloropropylideneamino) N-(3-fluorophenyl)carbamate?
(1-chloropropylideneamino) N-(3-fluorophenyl)carbamate has a molecular weight of 244.65 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloropropylideneamino) N-(3-fluorophenyl)carbamate is sourced from PubChem (CID 3826549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).