ethyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]cyclopropane-1-carboxylate

C20H20FNO4 — CID 67154749

IUPACethyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(NC(=O)OCc3ccccc3)cc2F)CC1
InChIInChI=1S/C20H20FNO4/c1-2-25-18(23)20(10-11-20)16-9-8-15(12-17(16)21)22-19(24)26-13-14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H,22,24)
InChIKeyNAPSVNZVJWIXGP-UHFFFAOYSA-N
MW357.38 g/mol
LogP4.17
Rot. Bonds6

About ethyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]cyclopropane-1-carboxylate

ethyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]cyclopropane-1-carboxylate (PubChem CID 67154749) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is ethyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]cyclopropane-1-carboxylate
PubChem CID67154749
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Nameethyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2ccc(NC(=O)OCc3ccccc3)cc2F)CC1
InChIInChI=1S/C20H20FNO4/c1-2-25-18(23)20(10-11-20)16-9-8-15(12-17(16)21)22-19(24)26-13-14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H,22,24)
InChIKeyNAPSVNZVJWIXGP-UHFFFAOYSA-N
XLogP4.17
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[3-fluoro-4-(3-hydroxythiolan-3-yl)phenyl]carbamate
CID 140988545
2-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]acetic acid
CID 125458336
benzyl 3-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]-3-hydroxypiperidine-1-carboxylate
CID 54214549
benzyl N-[4-(dimethoxymethyl)-3-fluorophenyl]carbamate
CID 22245060
ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate
CID 139907855
benzyl N-(4-cyano-3-fluorophenyl)carbamate
CID 131116637
1-[4-(ethoxycarbonylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557944
ethyl (6S)-6-[2-fluoro-5-(phenylmethoxycarbonylamino)phenyl]-6-methyl-2,4-dioxopiperidine-3-carboxylate
CID 138546340
benzyl N-[3-fluoro-4-(4-phenylpiperazin-1-yl)phenyl]carbamate
CID 67225663
benzyl N-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]carbamate
CID 11232635
potassium trifluoro-[2-methyl-4-(phenylmethoxycarbonylamino)phenyl]boranuide
CID 163199251
benzyl N-(3-fluoro-4-tritylsulfanylphenyl)carbamate
CID 22714564

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]cyclopropane-1-carboxylate (CID 67154749) is ethyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]cyclopropane-1-carboxylate is CCOC(=O)C1(c2ccc(NC(=O)OCc3ccccc3)cc2F)CC1.
What is the InChIKey of ethyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]cyclopropane-1-carboxylate?
The InChIKey is NAPSVNZVJWIXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4/c1-2-25-18(23)20(10-11-20)16-9-8-15(12-17(16)21)22-19(24)26-13-14-6-4-3-5-7-14/h3-9,12H,2,10-11,13H2,1H3,(H,22,24).
What are the key properties of ethyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]cyclopropane-1-carboxylate?
ethyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]cyclopropane-1-carboxylate has a molecular weight of 357.38 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-fluoro-4-(phenylmethoxycarbonylamino)phenyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 67154749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).