ethane;fluoro N-[1-(2-chlorophenyl)-2-oxopropyl]carbamate

C12H15ClFNO3 — CID 143630066

IUPACethane;fluoro N-[1-(2-chlorophenyl)-2-oxopropyl]carbamate
SMILESCC.CC(=O)C(NC(=O)OF)c1ccccc1Cl
InChIInChI=1S/C10H9ClFNO3.C2H6/c1-6(14)9(13-10(15)16-12)7-4-2-3-5-8(7)11;1-2/h2-5,9H,1H3,(H,13,15);1-2H3
InChIKeyLXQXANIZKIYKAB-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.61
Rot. Bonds3

About ethane;fluoro N-[1-(2-chlorophenyl)-2-oxopropyl]carbamate

ethane;fluoro N-[1-(2-chlorophenyl)-2-oxopropyl]carbamate (PubChem CID 143630066) has the molecular formula C12H15ClFNO3 and a molecular weight of 275.71 g/mol. Its IUPAC name is ethane;fluoro N-[1-(2-chlorophenyl)-2-oxopropyl]carbamate.

Molecular Properties

Compound Nameethane;fluoro N-[1-(2-chlorophenyl)-2-oxopropyl]carbamate
PubChem CID143630066
Molecular FormulaC12H15ClFNO3
Molecular Weight275.71 g/mol
Exact Mass275.07
IUPAC Nameethane;fluoro N-[1-(2-chlorophenyl)-2-oxopropyl]carbamate
SMILESCC.CC(=O)C(NC(=O)OF)c1ccccc1Cl
InChIInChI=1S/C10H9ClFNO3.C2H6/c1-6(14)9(13-10(15)16-12)7-4-2-3-5-8(7)11;1-2/h2-5,9H,1H3,(H,13,15);1-2H3
InChIKeyLXQXANIZKIYKAB-UHFFFAOYSA-N
XLogP3.61
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

S-methyl (2R)-2-(2-chlorophenyl)-2-(methoxycarbonylamino)ethanethioate
CID 163621360
1-(2-chlorophenyl)-1-fluoropropan-2-one
CID 105442385
(2R)-2-amino-2-(2-chlorophenyl)acetic acid;(2R)-2-(2-chlorophenyl)-2-(methoxycarbonylamino)acetic acid
CID 159886454
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
dimethyl 2-(2-chlorophenyl)propanedioate
CID 18710443
(2R,3S)-3-acetamido-3-(2-chlorophenyl)-2-hydroxypropanoic acid
CID 68917619
[(1R)-1-(2-chlorophenyl)ethyl] N-(3-methylbuta-1,3-dien-2-yl)carbamate;ethane
CID 144534242
phenyl N-[(1R)-1-(2-chlorophenyl)ethyl]carbamate
CID 81378918
[1-(2-chlorophenyl)-2-hydroxypropyl] N-propan-2-ylcarbamate
CID 56596269
methyl 2-(2-chlorophenyl)-2-(ethylamino)acetate;hydrochloride
CID 141289381
ethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate
CID 60994243
2,2,2-trifluoroethyl N-[1-(2-chlorophenyl)ethyl]carbamate
CID 65173391

Frequently Asked Questions

What is the IUPAC name of ethane;fluoro N-[1-(2-chlorophenyl)-2-oxopropyl]carbamate?
The IUPAC name of ethane;fluoro N-[1-(2-chlorophenyl)-2-oxopropyl]carbamate (CID 143630066) is ethane;fluoro N-[1-(2-chlorophenyl)-2-oxopropyl]carbamate.
What is the SMILES notation for ethane;fluoro N-[1-(2-chlorophenyl)-2-oxopropyl]carbamate?
The canonical SMILES for ethane;fluoro N-[1-(2-chlorophenyl)-2-oxopropyl]carbamate is CC.CC(=O)C(NC(=O)OF)c1ccccc1Cl.
What is the InChIKey of ethane;fluoro N-[1-(2-chlorophenyl)-2-oxopropyl]carbamate?
The InChIKey is LXQXANIZKIYKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFNO3.C2H6/c1-6(14)9(13-10(15)16-12)7-4-2-3-5-8(7)11;1-2/h2-5,9H,1H3,(H,13,15);1-2H3.
What are the key properties of ethane;fluoro N-[1-(2-chlorophenyl)-2-oxopropyl]carbamate?
ethane;fluoro N-[1-(2-chlorophenyl)-2-oxopropyl]carbamate has a molecular weight of 275.71 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;fluoro N-[1-(2-chlorophenyl)-2-oxopropyl]carbamate is sourced from PubChem (CID 143630066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).