2-cyclopropyl-2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]acetic acid

C19H17F2NO3 — CID 119213700

IUPAC2-cyclopropyl-2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]acetic acid
SMILESCc1cc(F)ccc1-c1ccc(C(=O)NC(C(=O)O)C2CC2)cc1F
InChIInChI=1S/C19H17F2NO3/c1-10-8-13(20)5-7-14(10)15-6-4-12(9-16(15)21)18(23)22-17(19(24)25)11-2-3-11/h4-9,11,17H,2-3H2,1H3,(H,22,23)(H,24,25)
InChIKeyWJZPBXWEJIDMBP-UHFFFAOYSA-N
MW345.35 g/mol
LogP3.53
Rot. Bonds5

About 2-cyclopropyl-2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]acetic acid

2-cyclopropyl-2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]acetic acid (PubChem CID 119213700) has the molecular formula C19H17F2NO3 and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]acetic acid
PubChem CID119213700
Molecular FormulaC19H17F2NO3
Molecular Weight345.35 g/mol
Exact Mass345.12
IUPAC Name2-cyclopropyl-2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]acetic acid
SMILESCc1cc(F)ccc1-c1ccc(C(=O)NC(C(=O)O)C2CC2)cc1F
InChIInChI=1S/C19H17F2NO3/c1-10-8-13(20)5-7-14(10)15-6-4-12(9-16(15)21)18(23)22-17(19(24)25)11-2-3-11/h4-9,11,17H,2-3H2,1H3,(H,22,23)(H,24,25)
InChIKeyWJZPBXWEJIDMBP-UHFFFAOYSA-N
XLogP3.53
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-[(4-methylbenzoyl)amino]acetic acid
CID 55108281
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide
CID 119457311
2-cyclopropyl-2-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorobenzoyl]amino]acetic acid
CID 119213295
2-[(4-amino-3-fluorobenzoyl)amino]-2-cyclohexylacetic acid
CID 63188445
N-[(2R)-1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3-fluoro-4-(4-fluoro-2-methylphenyl)benzamide
CID 99808858
2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]ethyl carbamate
CID 75498506
2-cyclopropyl-2-[(4-fluoro-2-methylphenyl)methylamino]acetic acid
CID 65059821
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
N'-(4-cyanobenzoyl)-3-fluoro-4-(4-fluoro-2-methylphenyl)benzohydrazide
CID 166209290
2-cyclopropyl-2-[(5-fluoro-2-methylphenyl)sulfonylamino]acetic acid
CID 62695582
2-cyclohexyl-2-[(3,5-difluorobenzoyl)amino]acetic acid
CID 61014771
2-cyclopropyl-2-[(3-iodobenzoyl)amino]acetic acid
CID 62696091

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]acetic acid (CID 119213700) is 2-cyclopropyl-2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]acetic acid is Cc1cc(F)ccc1-c1ccc(C(=O)NC(C(=O)O)C2CC2)cc1F.
What is the InChIKey of 2-cyclopropyl-2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]acetic acid?
The InChIKey is WJZPBXWEJIDMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2NO3/c1-10-8-13(20)5-7-14(10)15-6-4-12(9-16(15)21)18(23)22-17(19(24)25)11-2-3-11/h4-9,11,17H,2-3H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-cyclopropyl-2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]acetic acid?
2-cyclopropyl-2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]acetic acid has a molecular weight of 345.35 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[3-fluoro-4-(4-fluoro-2-methylphenyl)benzoyl]amino]acetic acid is sourced from PubChem (CID 119213700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).