2-(5-chloro-2-fluorophenyl)-2-[cyclopropyl(formyl)amino]acetic acid

C12H11ClFNO3 — CID 114843787

IUPAC2-(5-chloro-2-fluorophenyl)-2-[cyclopropyl(formyl)amino]acetic acid
SMILESO=CN(C1CC1)C(C(=O)O)c1cc(Cl)ccc1F
InChIInChI=1S/C12H11ClFNO3/c13-7-1-4-10(14)9(5-7)11(12(17)18)15(6-16)8-2-3-8/h1,4-6,8,11H,2-3H2,(H,17,18)
InChIKeyYPNTWTQKLNZMAJ-UHFFFAOYSA-N
MW271.67 g/mol
LogP2.23
Rot. Bonds5

About 2-(5-chloro-2-fluorophenyl)-2-[cyclopropyl(formyl)amino]acetic acid

2-(5-chloro-2-fluorophenyl)-2-[cyclopropyl(formyl)amino]acetic acid (PubChem CID 114843787) has the molecular formula C12H11ClFNO3 and a molecular weight of 271.67 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-2-[cyclopropyl(formyl)amino]acetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-2-[cyclopropyl(formyl)amino]acetic acid
PubChem CID114843787
Molecular FormulaC12H11ClFNO3
Molecular Weight271.67 g/mol
Exact Mass271.04
IUPAC Name2-(5-chloro-2-fluorophenyl)-2-[cyclopropyl(formyl)amino]acetic acid
SMILESO=CN(C1CC1)C(C(=O)O)c1cc(Cl)ccc1F
InChIInChI=1S/C12H11ClFNO3/c13-7-1-4-10(14)9(5-7)11(12(17)18)15(6-16)8-2-3-8/h1,4-6,8,11H,2-3H2,(H,17,18)
InChIKeyYPNTWTQKLNZMAJ-UHFFFAOYSA-N
XLogP2.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(4-Chlorophenyl)-2-(dimethylamino)acetic acid
CID 242172
2-(((Tert-butoxy)carbonyl)amino)-2-(3-chloro-4-fluorophenyl)acetic acid
CID 3564185
2-(2-Chlorophenyl)-2-(dimethylamino)acetic acid
CID 24258980
(3-Chloro-4-fluorophenyl)[(2-methoxyethyl)(methyl)amino]acetic acid
CID 72837870
(4-Chloro-3-fluorophenyl)[(2-methoxyethyl)(methyl)amino]acetic acid
CID 72838826
2-(3-Chloro-4-fluorophenyl)-2-[4-[2-(dimethylamino)ethyl-methylamino]piperidin-1-yl]acetic acid
CID 72912501
2-(3-Chlorophenyl)-2-(dimethylamino)acetic acid hydrochloride
CID 50988471
2-(2-chloro-6-fluorophenyl)-2-(N-methylacetamido)acetic acid
CID 55232396
2-(2-Chloro-6-fluorophenyl)-2-(piperidin-1-yl)acetic acid hydrochloride
CID 75480633
2-(4-Chlorophenyl)-2-(piperidin-1-YL)acetic acid
CID 16243941
2-(2-Chlorophenyl)-2-(piperidin-1-YL)acetic acid
CID 16243943
(2S)-2-[(5-chloro-2-fluorobenzoyl)amino]-2-phenylacetic acid
CID 29274840

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-2-[cyclopropyl(formyl)amino]acetic acid?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-2-[cyclopropyl(formyl)amino]acetic acid (CID 114843787) is 2-(5-chloro-2-fluorophenyl)-2-[cyclopropyl(formyl)amino]acetic acid.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-2-[cyclopropyl(formyl)amino]acetic acid?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-2-[cyclopropyl(formyl)amino]acetic acid is O=CN(C1CC1)C(C(=O)O)c1cc(Cl)ccc1F.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-2-[cyclopropyl(formyl)amino]acetic acid?
The InChIKey is YPNTWTQKLNZMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO3/c13-7-1-4-10(14)9(5-7)11(12(17)18)15(6-16)8-2-3-8/h1,4-6,8,11H,2-3H2,(H,17,18).
What are the key properties of 2-(5-chloro-2-fluorophenyl)-2-[cyclopropyl(formyl)amino]acetic acid?
2-(5-chloro-2-fluorophenyl)-2-[cyclopropyl(formyl)amino]acetic acid has a molecular weight of 271.67 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-2-[cyclopropyl(formyl)amino]acetic acid is sourced from PubChem (CID 114843787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).