2-(N-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]anilino)acetic acid

C13H16F2N2O4 — CID 107481830

IUPAC2-(N-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]anilino)acetic acid
SMILESO=C(O)CN(C(=O)N(CCO)CC(F)F)c1ccccc1
InChIInChI=1S/C13H16F2N2O4/c14-11(15)8-16(6-7-18)13(21)17(9-12(19)20)10-4-2-1-3-5-10/h1-5,11,18H,6-9H2,(H,19,20)
InChIKeySAMYTPXAXGMAJN-UHFFFAOYSA-N
MW302.28 g/mol
LogP1.26
Rot. Bonds7

About 2-(N-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]anilino)acetic acid

2-(N-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]anilino)acetic acid (PubChem CID 107481830) has the molecular formula C13H16F2N2O4 and a molecular weight of 302.28 g/mol. Its IUPAC name is 2-(N-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(N-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]anilino)acetic acid
PubChem CID107481830
Molecular FormulaC13H16F2N2O4
Molecular Weight302.28 g/mol
Exact Mass302.11
IUPAC Name2-(N-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]anilino)acetic acid
SMILESO=C(O)CN(C(=O)N(CCO)CC(F)F)c1ccccc1
InChIInChI=1S/C13H16F2N2O4/c14-11(15)8-16(6-7-18)13(21)17(9-12(19)20)10-4-2-1-3-5-10/h1-5,11,18H,6-9H2,(H,19,20)
InChIKeySAMYTPXAXGMAJN-UHFFFAOYSA-N
XLogP1.26
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-[bis(2-hydroxyethyl)carbamoyl]-4-hydroxyanilino]acetic acid
CID 61235432
2-[N-(diethylcarbamoyl)anilino]acetic acid
CID 61187149
2-(N-[ethyl(2-methylpropyl)carbamoyl]anilino)acetic acid
CID 61199656
(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide
CID 107479341
N-(cyanomethyl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-phenylacetamide
CID 107485643
2-[cyclopentyl-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]acetic acid
CID 107481751
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylbutanamide
CID 107482538
(2S)-2-[[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]amino]-2-phenylacetic acid
CID 107481648
2-cyano-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-phenylacetamide
CID 107479516
2-[N-(3,3,3-trifluoropropanoyl)anilino]acetic acid
CID 54926550
N-[3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-3-oxopropyl]benzamide
CID 107482734
2-(N-[methyl(pentan-3-yl)carbamoyl]anilino)acetic acid
CID 61202713

Frequently Asked Questions

What is the IUPAC name of 2-(N-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]anilino)acetic acid?
The IUPAC name of 2-(N-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]anilino)acetic acid (CID 107481830) is 2-(N-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]anilino)acetic acid.
What is the SMILES notation for 2-(N-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]anilino)acetic acid?
The canonical SMILES for 2-(N-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]anilino)acetic acid is O=C(O)CN(C(=O)N(CCO)CC(F)F)c1ccccc1.
What is the InChIKey of 2-(N-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]anilino)acetic acid?
The InChIKey is SAMYTPXAXGMAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O4/c14-11(15)8-16(6-7-18)13(21)17(9-12(19)20)10-4-2-1-3-5-10/h1-5,11,18H,6-9H2,(H,19,20).
What are the key properties of 2-(N-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]anilino)acetic acid?
2-(N-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]anilino)acetic acid has a molecular weight of 302.28 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-[2,2-difluoroethyl(2-hydroxyethyl)carbamoyl]anilino)acetic acid is sourced from PubChem (CID 107481830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).