(4-bromophenyl)methyl 2-(3-chloroanilino)acetate

C15H13BrClNO2 — CID 82824756

IUPAC(4-bromophenyl)methyl 2-(3-chloroanilino)acetate
SMILESO=C(CNc1cccc(Cl)c1)OCc1ccc(Br)cc1
InChIInChI=1S/C15H13BrClNO2/c16-12-6-4-11(5-7-12)10-20-15(19)9-18-14-3-1-2-13(17)8-14/h1-8,18H,9-10H2
InChIKeyFRWUAHBNGXHBQM-UHFFFAOYSA-N
MW354.63 g/mol
LogP4.26
Rot. Bonds5

About (4-bromophenyl)methyl 2-(3-chloroanilino)acetate

(4-bromophenyl)methyl 2-(3-chloroanilino)acetate (PubChem CID 82824756) has the molecular formula C15H13BrClNO2 and a molecular weight of 354.63 g/mol. Its IUPAC name is (4-bromophenyl)methyl 2-(3-chloroanilino)acetate.

Molecular Properties

Compound Name(4-bromophenyl)methyl 2-(3-chloroanilino)acetate
PubChem CID82824756
Molecular FormulaC15H13BrClNO2
Molecular Weight354.63 g/mol
Exact Mass352.98
IUPAC Name(4-bromophenyl)methyl 2-(3-chloroanilino)acetate
SMILESO=C(CNc1cccc(Cl)c1)OCc1ccc(Br)cc1
InChIInChI=1S/C15H13BrClNO2/c16-12-6-4-11(5-7-12)10-20-15(19)9-18-14-3-1-2-13(17)8-14/h1-8,18H,9-10H2
InChIKeyFRWUAHBNGXHBQM-UHFFFAOYSA-N
XLogP4.26
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.63
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorophenyl)methyl 2-(3-chloroanilino)acetate
CID 65127418
(3-methoxyphenyl)methyl 2-(3-chloroanilino)acetate
CID 61280033
(4-chlorophenyl)methyl 2-anilinoacetate
CID 65127190
propyl 2-(3-chloroanilino)acetate
CID 60835010
1-(3-chloroanilino)propan-2-one
CID 21364413
octyl 2-(3-chloroanilino)acetate
CID 63541877
(4-bromophenyl)methyl 3-[(3-chlorophenyl)sulfonylamino]propanoate
CID 42982279
4-methylpentyl 2-(3-chloroanilino)acetate
CID 61304082
2-[(4-bromophenyl)methylsulfonylamino]-N-(3-chlorophenyl)acetamide
CID 22300056
bis[(4-bromophenyl)methyl] butanedioate
CID 91729053
benzyl 2-[3-(3-chlorophenyl)propanoylamino]acetate
CID 51280706
(4-bromophenyl)methyl 2-[(3-methylbenzoyl)amino]acetate
CID 9363996

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)methyl 2-(3-chloroanilino)acetate?
The IUPAC name of (4-bromophenyl)methyl 2-(3-chloroanilino)acetate (CID 82824756) is (4-bromophenyl)methyl 2-(3-chloroanilino)acetate.
What is the SMILES notation for (4-bromophenyl)methyl 2-(3-chloroanilino)acetate?
The canonical SMILES for (4-bromophenyl)methyl 2-(3-chloroanilino)acetate is O=C(CNc1cccc(Cl)c1)OCc1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)methyl 2-(3-chloroanilino)acetate?
The InChIKey is FRWUAHBNGXHBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO2/c16-12-6-4-11(5-7-12)10-20-15(19)9-18-14-3-1-2-13(17)8-14/h1-8,18H,9-10H2.
What are the key properties of (4-bromophenyl)methyl 2-(3-chloroanilino)acetate?
(4-bromophenyl)methyl 2-(3-chloroanilino)acetate has a molecular weight of 354.63 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)methyl 2-(3-chloroanilino)acetate is sourced from PubChem (CID 82824756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).