(4-chlorophenyl)methyl 2-anilinoacetate

C15H14ClNO2 — CID 65127190

IUPAC(4-chlorophenyl)methyl 2-anilinoacetate
SMILESO=C(CNc1ccccc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2/c16-13-8-6-12(7-9-13)11-19-15(18)10-17-14-4-2-1-3-5-14/h1-9,17H,10-11H2
InChIKeyHKHMSNRRXTWVAI-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.50
Rot. Bonds5

About (4-chlorophenyl)methyl 2-anilinoacetate

(4-chlorophenyl)methyl 2-anilinoacetate (PubChem CID 65127190) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is (4-chlorophenyl)methyl 2-anilinoacetate.

Molecular Properties

Compound Name(4-chlorophenyl)methyl 2-anilinoacetate
PubChem CID65127190
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name(4-chlorophenyl)methyl 2-anilinoacetate
SMILESO=C(CNc1ccccc1)OCc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClNO2/c16-13-8-6-12(7-9-13)11-19-15(18)10-17-14-4-2-1-3-5-14/h1-9,17H,10-11H2
InChIKeyHKHMSNRRXTWVAI-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromophenyl)methyl 2-(3-chloroanilino)acetate
CID 82824756
(3-chlorophenyl)methyl 2-(3-chloroanilino)acetate
CID 65127418
(4-chlorophenyl)methyl 2-[(2-amino-2-oxoethyl)amino]acetate
CID 107437060
benzyl 2-[4-[(Z)-N'-hydroxycarbamimidoyl]anilino]acetate
CID 142097820
[(E)-3-phenylprop-2-enyl] 2-(4-chloroanilino)acetate
CID 164678558
(4-chlorophenyl)methyl 2-phenylsulfanylacetate
CID 533039
2-methoxyethyl 2-(4-chloroanilino)acetate
CID 61302455
(4-chlorophenyl)methyl 2-(2-methylpropylamino)acetate
CID 65127392
ethyl 3-[(2-oxo-2-phenylmethoxyethyl)amino]benzoate
CID 162365695
benzyl 2-[(2,5-dichlorobenzoyl)amino]acetate
CID 26878280
(2S)-2-amino-3-[4-[[2-(4-hydroxyanilino)acetyl]oxymethyl]phenyl]propanoic acid
CID 68754922
(3-methoxyphenyl)methyl 2-(3-chloroanilino)acetate
CID 61280033

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)methyl 2-anilinoacetate?
The IUPAC name of (4-chlorophenyl)methyl 2-anilinoacetate (CID 65127190) is (4-chlorophenyl)methyl 2-anilinoacetate.
What is the SMILES notation for (4-chlorophenyl)methyl 2-anilinoacetate?
The canonical SMILES for (4-chlorophenyl)methyl 2-anilinoacetate is O=C(CNc1ccccc1)OCc1ccc(Cl)cc1.
What is the InChIKey of (4-chlorophenyl)methyl 2-anilinoacetate?
The InChIKey is HKHMSNRRXTWVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-13-8-6-12(7-9-13)11-19-15(18)10-17-14-4-2-1-3-5-14/h1-9,17H,10-11H2.
What are the key properties of (4-chlorophenyl)methyl 2-anilinoacetate?
(4-chlorophenyl)methyl 2-anilinoacetate has a molecular weight of 275.74 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)methyl 2-anilinoacetate is sourced from PubChem (CID 65127190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).