2,4-difluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybenzoic acid

C19H19F2NO5 — CID 23130265

IUPAC2,4-difluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybenzoic acid
SMILESCC(C)(C)OC(=O)Nc1cc(F)c(OCc2ccccc2)c(F)c1C(=O)O
InChIInChI=1S/C19H19F2NO5/c1-19(2,3)27-18(25)22-13-9-12(20)16(15(21)14(13)17(23)24)26-10-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyBQJZLDGTANEGEX-UHFFFAOYSA-N
MW379.36 g/mol
LogP4.59
Rot. Bonds5

About 2,4-difluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybenzoic acid

2,4-difluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybenzoic acid (PubChem CID 23130265) has the molecular formula C19H19F2NO5 and a molecular weight of 379.36 g/mol. Its IUPAC name is 2,4-difluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name2,4-difluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybenzoic acid
PubChem CID23130265
Molecular FormulaC19H19F2NO5
Molecular Weight379.36 g/mol
Exact Mass379.12
IUPAC Name2,4-difluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybenzoic acid
SMILESCC(C)(C)OC(=O)Nc1cc(F)c(OCc2ccccc2)c(F)c1C(=O)O
InChIInChI=1S/C19H19F2NO5/c1-19(2,3)27-18(25)22-13-9-12(20)16(15(21)14(13)17(23)24)26-10-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyBQJZLDGTANEGEX-UHFFFAOYSA-N
XLogP4.59
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.36
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(3-fluoro-4-phenylmethoxynaphthalen-2-yl)carbamate
CID 171099839
tert-butyl N-(2-hydroxy-4-phenylmethoxyphenyl)carbamate
CID 58020516
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoic acid
CID 54328163
3-bromo-2-fluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 130755266
2,3,5-trifluoro-4-phenylmethoxybenzoic acid
CID 163233773
benzyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylmethoxybenzoate
CID 54325649
ethane;ethyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyphenyl]acetate
CID 156725209
2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-(phenylmethoxycarbonylamino)benzoic acid
CID 23290973
2-(2,2-dimethylpropanoylamino)-4-fluoro-6-phenylmethoxybenzoic acid
CID 90117385
2,5-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 122204937
tert-butyl N-(5-iodo-8-phenylmethoxyquinolin-6-yl)carbamate
CID 22053399
tert-butyl N-(2-ethanimidoyl-4-phenylmethoxyphenyl)carbamate;ethane
CID 143063494

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybenzoic acid?
The IUPAC name of 2,4-difluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybenzoic acid (CID 23130265) is 2,4-difluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybenzoic acid.
What is the SMILES notation for 2,4-difluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybenzoic acid?
The canonical SMILES for 2,4-difluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybenzoic acid is CC(C)(C)OC(=O)Nc1cc(F)c(OCc2ccccc2)c(F)c1C(=O)O.
What is the InChIKey of 2,4-difluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybenzoic acid?
The InChIKey is BQJZLDGTANEGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2NO5/c1-19(2,3)27-18(25)22-13-9-12(20)16(15(21)14(13)17(23)24)26-10-11-7-5-4-6-8-11/h4-9H,10H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of 2,4-difluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybenzoic acid?
2,4-difluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybenzoic acid has a molecular weight of 379.36 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxybenzoic acid is sourced from PubChem (CID 23130265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).