2-(3-chloroanilino)-2-(4-cyclopropylphenyl)acetic acid

C17H16ClNO2 — CID 79970774

IUPAC2-(3-chloroanilino)-2-(4-cyclopropylphenyl)acetic acid
SMILESO=C(O)C(Nc1cccc(Cl)c1)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H16ClNO2/c18-14-2-1-3-15(10-14)19-16(17(20)21)13-8-6-12(7-9-13)11-4-5-11/h1-3,6-11,16,19H,4-5H2,(H,20,21)
InChIKeyHWIDXTDPWCMITJ-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.46
Rot. Bonds5

About 2-(3-chloroanilino)-2-(4-cyclopropylphenyl)acetic acid

2-(3-chloroanilino)-2-(4-cyclopropylphenyl)acetic acid (PubChem CID 79970774) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 2-(3-chloroanilino)-2-(4-cyclopropylphenyl)acetic acid.

Molecular Properties

Compound Name2-(3-chloroanilino)-2-(4-cyclopropylphenyl)acetic acid
PubChem CID79970774
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name2-(3-chloroanilino)-2-(4-cyclopropylphenyl)acetic acid
SMILESO=C(O)C(Nc1cccc(Cl)c1)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H16ClNO2/c18-14-2-1-3-15(10-14)19-16(17(20)21)13-8-6-12(7-9-13)11-4-5-11/h1-3,6-11,16,19H,4-5H2,(H,20,21)
InChIKeyHWIDXTDPWCMITJ-UHFFFAOYSA-N
XLogP4.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloroanilino)-2-(4-methoxyphenyl)acetic acid
CID 60990738
(2R)-2-(3-chloroanilino)-2-(4-methylphenyl)acetate
CID 7152560
2-(3-chloroanilino)-2-cyclopentylacetic acid
CID 55035047
2-(benzylamino)-2-(4-cyclopropylphenyl)acetic acid
CID 79972990
2-(3-chloroanilino)-2-(3-chloro-2-fluorophenyl)acetic acid
CID 114488151
2-(3-fluoroanilino)-2-(4-fluorophenyl)acetic acid
CID 54890833
2-(3-chlorophenyl)-2-(3,5-dimethylanilino)acetic acid
CID 174705607
2-(3-chlorophenyl)-2-(cyclopropylamino)acetic acid
CID 43754566
(2R)-2-anilino-2-phenylacetic acid
CID 6999890
2-(3-chloroanilino)-2-(3,4-dichlorophenyl)acetamide
CID 61005060
2-phenyl-2-(3-propan-2-ylanilino)acetic acid
CID 21063795
2-(4-bromophenyl)-2-(3-methylanilino)acetic acid
CID 54890845

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-2-(4-cyclopropylphenyl)acetic acid?
The IUPAC name of 2-(3-chloroanilino)-2-(4-cyclopropylphenyl)acetic acid (CID 79970774) is 2-(3-chloroanilino)-2-(4-cyclopropylphenyl)acetic acid.
What is the SMILES notation for 2-(3-chloroanilino)-2-(4-cyclopropylphenyl)acetic acid?
The canonical SMILES for 2-(3-chloroanilino)-2-(4-cyclopropylphenyl)acetic acid is O=C(O)C(Nc1cccc(Cl)c1)c1ccc(C2CC2)cc1.
What is the InChIKey of 2-(3-chloroanilino)-2-(4-cyclopropylphenyl)acetic acid?
The InChIKey is HWIDXTDPWCMITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c18-14-2-1-3-15(10-14)19-16(17(20)21)13-8-6-12(7-9-13)11-4-5-11/h1-3,6-11,16,19H,4-5H2,(H,20,21).
What are the key properties of 2-(3-chloroanilino)-2-(4-cyclopropylphenyl)acetic acid?
2-(3-chloroanilino)-2-(4-cyclopropylphenyl)acetic acid has a molecular weight of 301.77 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-2-(4-cyclopropylphenyl)acetic acid is sourced from PubChem (CID 79970774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).