2-[4-chloro-N-(2-phenylpropyl)anilino]acetic acid

C17H18ClNO2 — CID 65058054

IUPAC2-[4-chloro-N-(2-phenylpropyl)anilino]acetic acid
SMILESCC(CN(CC(=O)O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-13(14-5-3-2-4-6-14)11-19(12-17(20)21)16-9-7-15(18)8-10-16/h2-10,13H,11-12H2,1H3,(H,20,21)
InChIKeyPQBHTWTXHFVZHE-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.03
Rot. Bonds6

About 2-[4-chloro-N-(2-phenylpropyl)anilino]acetic acid

2-[4-chloro-N-(2-phenylpropyl)anilino]acetic acid (PubChem CID 65058054) has the molecular formula C17H18ClNO2 and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-[4-chloro-N-(2-phenylpropyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[4-chloro-N-(2-phenylpropyl)anilino]acetic acid
PubChem CID65058054
Molecular FormulaC17H18ClNO2
Molecular Weight303.79 g/mol
Exact Mass303.10
IUPAC Name2-[4-chloro-N-(2-phenylpropyl)anilino]acetic acid
SMILESCC(CN(CC(=O)O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C17H18ClNO2/c1-13(14-5-3-2-4-6-14)11-19(12-17(20)21)16-9-7-15(18)8-10-16/h2-10,13H,11-12H2,1H3,(H,20,21)
InChIKeyPQBHTWTXHFVZHE-UHFFFAOYSA-N
XLogP4.03
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-N-(2-hydroxy-3-methoxypropyl)anilino)acetic acid
CID 63928196
2-(4-chloro-N-[2-(dimethylamino)-2-oxoethyl]anilino)acetic acid
CID 54925633
2-(4-chloro-N-hexylanilino)acetic acid
CID 60834817
2-(4-chloro-N-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]anilino)acetic acid
CID 60832897
2-(4-chloro-N-[2-(2-methylpropylamino)-2-oxoethyl]anilino)acetic acid
CID 60834961
2-[4-chloro-N-(pyridin-2-ylmethyl)anilino]acetic acid
CID 54925675
2-(N-(2-amino-2-oxoethyl)-4-chloroanilino)acetic acid
CID 60834959
2-[4-chloro-N-(2-methylidenebutyl)anilino]acetic acid
CID 66045975
2-(4-chloro-N-pentylanilino)acetic acid
CID 60834965
3-[4-chloro-N-(2-methylprop-2-enyl)anilino]-2-methylpropanoic acid
CID 82319693
2-[4-chloro-N-(3-methylbut-3-enyl)anilino]acetic acid
CID 114473132
2-[3-chloro-N-(2-methylpentyl)anilino]acetic acid
CID 63402361

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-N-(2-phenylpropyl)anilino]acetic acid?
The IUPAC name of 2-[4-chloro-N-(2-phenylpropyl)anilino]acetic acid (CID 65058054) is 2-[4-chloro-N-(2-phenylpropyl)anilino]acetic acid.
What is the SMILES notation for 2-[4-chloro-N-(2-phenylpropyl)anilino]acetic acid?
The canonical SMILES for 2-[4-chloro-N-(2-phenylpropyl)anilino]acetic acid is CC(CN(CC(=O)O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-[4-chloro-N-(2-phenylpropyl)anilino]acetic acid?
The InChIKey is PQBHTWTXHFVZHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO2/c1-13(14-5-3-2-4-6-14)11-19(12-17(20)21)16-9-7-15(18)8-10-16/h2-10,13H,11-12H2,1H3,(H,20,21).
What are the key properties of 2-[4-chloro-N-(2-phenylpropyl)anilino]acetic acid?
2-[4-chloro-N-(2-phenylpropyl)anilino]acetic acid has a molecular weight of 303.79 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-N-(2-phenylpropyl)anilino]acetic acid is sourced from PubChem (CID 65058054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).